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/WNV-p-aca772b2/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WNV-p-aca772b2/inputs/seq.fa: 1
curr_seq: _UGGUGCUAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUAGAACACAGGAUCU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/WNV-p-aca772b2/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WNV-p-aca772b2/inputs/seq.fa: 1
curr_seq: _UGGUGCUAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUAGAACACAGGAUCU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/WNV-p-aca772b2/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WNV-p-aca772b2/inputs/seq.fa: 1
curr_seq: _UGGUGCUAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUAGAACACAGGAUCU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/WNV-p-aca772b2/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WNV-p-aca772b2/inputs/seq.fa: 1
curr_seq: _UGGUGCUAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUAGAACACAGGAUCU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/WNV-p-aca772b2/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WNV-p-aca772b2/inputs/seq.fa: 1
curr_seq: _UGGUGCUAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUAGAACACAGGAUCU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/WNV-p-aca772b2/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WNV-p-aca772b2/inputs/seq.fa: 1
curr_seq: _UGGUGCUAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUAGAACACAGGAUCU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/WNV-p-aca772b2/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WNV-p-aca772b2/inputs/seq.fa: 1
curr_seq: _UGGUGCUAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUAGAACACAGGAUCU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/WNV-p-aca772b2/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WNV-p-aca772b2/inputs/seq.fa: 1
curr_seq: _UGGUGCUAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUAGAACACAGGAUCU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/WNV-p-aca772b2/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WNV-p-aca772b2/inputs/seq.fa: 1
curr_seq: _UGGUGCUAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUAGAACACAGGAUCU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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/WNV-p-aca772b2/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/WNV-p-aca772b2/inputs/seq.fa: 1
curr_seq: _UGGUGCUAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGCUAGAACACAGGAUCU
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 21 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: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 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: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -134.736487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.736487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.736487 (E_RNA)
where:
Base-Base interactions energy: -67.862
where: short stacking energy: -52.477
Base-Backbone interact. energy: -0.088
local terms energy: -66.787045
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -13.115
flat angles P-C4'-P energy: -10.780
tors. eta vs tors. theta energy: -12.096
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: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -156.491732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.491732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.491732 (E_RNA)
where:
Base-Base interactions energy: -98.398
where: short stacking energy: -48.624
Base-Backbone interact. energy: -0.018
local terms energy: -58.075060
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -5.514
tors. eta vs tors. theta energy: -9.176
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: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -100.038451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.038451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.038451 (E_RNA)
where:
Base-Base interactions energy: -46.000
where: short stacking energy: -46.000
Base-Backbone interact. energy: -1.034
local terms energy: -53.004560
where:
bonds (distance) C4'-P energy: -7.934
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -12.245
tors. eta vs tors. theta energy: -4.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -121.205022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.205022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.205022 (E_RNA)
where:
Base-Base interactions energy: -59.048
where: short stacking energy: -48.710
Base-Backbone interact. energy: -0.003
local terms energy: -62.154428
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -12.623
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -10.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -99.547318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.547318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.547318 (E_RNA)
where:
Base-Base interactions energy: -41.835
where: short stacking energy: -41.332
Base-Backbone interact. energy: -0.004
local terms energy: -57.708641
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -6.940
tors. eta vs tors. theta energy: -11.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -96.784532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.784532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.784532 (E_RNA)
where:
Base-Base interactions energy: -45.199
where: short stacking energy: -26.152
Base-Backbone interact. energy: -0.214
local terms energy: -51.371473
where:
bonds (distance) C4'-P energy: -12.856
bonds (distance) P-C4' energy: -12.382
flat angles C4'-P-C4' energy: -9.803
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -5.085
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: 2
Temperature: 1.200000
Total energy: -104.936492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.936492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.936492 (E_RNA)
where:
Base-Base interactions energy: -44.073
where: short stacking energy: -35.977
Base-Backbone interact. energy: -0.126
local terms energy: -60.737114
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -15.388
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -7.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -89.314150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.314150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.314150 (E_RNA)
where:
Base-Base interactions energy: -35.132
where: short stacking energy: -35.132
Base-Backbone interact. energy: -0.216
local terms energy: -53.967127
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -17.457
flat angles P-C4'-P energy: -2.686
tors. eta vs tors. theta energy: -6.459
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: 2
Temperature: 1.300000
Total energy: -78.903764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.903764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.903764 (E_RNA)
where:
Base-Base interactions energy: -4.961
where: short stacking energy: -4.961
Base-Backbone interact. energy: -0.000
local terms energy: -73.942789
where:
bonds (distance) C4'-P energy: -19.360
bonds (distance) P-C4' energy: -18.052
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -16.858
tors. eta vs tors. theta energy: -4.391
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: 2
Temperature: 1.350000
Total energy: -79.269815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.269815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.269815 (E_RNA)
where:
Base-Base interactions energy: -40.161
where: short stacking energy: -35.746
Base-Backbone interact. energy: 0.574
local terms energy: -39.681999
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -10.580
flat angles C4'-P-C4' energy: -8.265
flat angles P-C4'-P energy: -2.745
tors. eta vs tors. theta energy: -5.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -131.232434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.232434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.232434 (E_RNA)
where:
Base-Base interactions energy: -66.932
where: short stacking energy: -47.820
Base-Backbone interact. energy: -0.111
local terms energy: -64.188890
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -11.822
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: -10.637
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: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -188.853571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.853571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.853571 (E_RNA)
where:
Base-Base interactions energy: -116.787
where: short stacking energy: -53.396
Base-Backbone interact. energy: 0.557
local terms energy: -72.624217
where:
bonds (distance) C4'-P energy: -17.663
bonds (distance) P-C4' energy: -17.631
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -7.686
tors. eta vs tors. theta energy: -13.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -142.962504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.962504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.962504 (E_RNA)
where:
Base-Base interactions energy: -81.447
where: short stacking energy: -40.397
Base-Backbone interact. energy: 0.256
local terms energy: -61.771079
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -15.235
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -12.038
tors. eta vs tors. theta energy: -4.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -110.719886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.719886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.719886 (E_RNA)
where:
Base-Base interactions energy: -55.314
where: short stacking energy: -29.969
Base-Backbone interact. energy: -0.100
local terms energy: -55.306163
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -15.390
flat angles C4'-P-C4' energy: -11.698
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -4.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -92.781345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.781345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.781345 (E_RNA)
where:
Base-Base interactions energy: -35.270
where: short stacking energy: -35.270
Base-Backbone interact. energy: -0.076
local terms energy: -57.435496
where:
bonds (distance) C4'-P energy: -10.600
bonds (distance) P-C4' energy: -16.855
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -7.721
tors. eta vs tors. theta energy: -7.839
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: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -103.668669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.668669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.668669 (E_RNA)
where:
Base-Base interactions energy: -46.169
where: short stacking energy: -36.366
Base-Backbone interact. energy: -0.364
local terms energy: -57.135892
where:
bonds (distance) C4'-P energy: -12.850
bonds (distance) P-C4' energy: -12.730
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -12.159
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: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -96.024541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.024541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.024541 (E_RNA)
where:
Base-Base interactions energy: -46.031
where: short stacking energy: -29.435
Base-Backbone interact. energy: -0.085
local terms energy: -49.908572
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -10.410
flat angles P-C4'-P energy: -6.394
tors. eta vs tors. theta energy: -1.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -80.394822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.394822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.394822 (E_RNA)
where:
Base-Base interactions energy: -30.848
where: short stacking energy: -22.461
Base-Backbone interact. energy: -0.183
local terms energy: -49.363892
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -11.156
flat angles C4'-P-C4' energy: -11.496
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -1.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -84.974642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.974642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.974642 (E_RNA)
where:
Base-Base interactions energy: -35.535
where: short stacking energy: -32.622
Base-Backbone interact. energy: 0.695
local terms energy: -50.135146
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -7.778
flat angles P-C4'-P energy: -3.874
tors. eta vs tors. theta energy: -7.784
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: 3
Temperature: 1.350000
Total energy: -98.838044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.838044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.838044 (E_RNA)
where:
Base-Base interactions energy: -47.502
where: short stacking energy: -36.319
Base-Backbone interact. energy: -0.075
local terms energy: -51.261456
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -7.644
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -2.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -195.434988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.434988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.434988 (E_RNA)
where:
Base-Base interactions energy: -121.264
where: short stacking energy: -57.016
Base-Backbone interact. energy: 0.126
local terms energy: -74.296587
where:
bonds (distance) C4'-P energy: -15.020
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -13.997
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: 4
Temperature: 0.950000
Total energy: -125.121835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.121835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.121835 (E_RNA)
where:
Base-Base interactions energy: -63.680
where: short stacking energy: -46.461
Base-Backbone interact. energy: -0.104
local terms energy: -61.337769
where:
bonds (distance) C4'-P energy: -14.196
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -5.793
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: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -172.855883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.855883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.855883 (E_RNA)
where:
Base-Base interactions energy: -113.334
where: short stacking energy: -51.349
Base-Backbone interact. energy: -0.109
local terms energy: -59.413000
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -2.731
tors. eta vs tors. theta energy: -10.202
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: 5
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -111.514133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.514133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.514133 (E_RNA)
where:
Base-Base interactions energy: -43.455
where: short stacking energy: -33.956
Base-Backbone interact. energy: -0.115
local terms energy: -67.944550
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -18.311
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -7.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -103.352024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.352024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.352024 (E_RNA)
where:
Base-Base interactions energy: -42.947
where: short stacking energy: -36.988
Base-Backbone interact. energy: -0.382
local terms energy: -60.023209
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -6.700
tors. eta vs tors. theta energy: -5.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -106.132955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.132955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.132955 (E_RNA)
where:
Base-Base interactions energy: -35.349
where: short stacking energy: -35.314
Base-Backbone interact. energy: -0.045
local terms energy: -70.738350
where:
bonds (distance) C4'-P energy: -17.240
bonds (distance) P-C4' energy: -18.101
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: -9.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -97.847219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.847219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.847219 (E_RNA)
where:
Base-Base interactions energy: -43.376
where: short stacking energy: -29.315
Base-Backbone interact. energy: -0.008
local terms energy: -54.463207
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -14.182
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -1.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -104.201791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.201791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.201791 (E_RNA)
where:
Base-Base interactions energy: -48.476
where: short stacking energy: -22.684
Base-Backbone interact. energy: -1.030
local terms energy: -54.695480
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -11.923
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -4.720
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: 4
Temperature: 1.300000
Total energy: -81.820873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.820873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.820873 (E_RNA)
where:
Base-Base interactions energy: -37.932
where: short stacking energy: -26.379
Base-Backbone interact. energy: 0.127
local terms energy: -44.015864
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -12.390
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -5.008
tors. eta vs tors. theta energy: 3.076
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: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -77.995768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.995768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.995768 (E_RNA)
where:
Base-Base interactions energy: -34.118
where: short stacking energy: -30.193
Base-Backbone interact. energy: -0.298
local terms energy: -43.579376
where:
bonds (distance) C4'-P energy: -10.867
bonds (distance) P-C4' energy: -12.186
flat angles C4'-P-C4' energy: -10.756
flat angles P-C4'-P energy: -1.286
tors. eta vs tors. theta energy: -8.484
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: 2
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -193.266320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.266320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.266320 (E_RNA)
where:
Base-Base interactions energy: -127.908
where: short stacking energy: -61.697
Base-Backbone interact. energy: -0.426
local terms energy: -64.932780
where:
bonds (distance) C4'-P energy: -12.880
bonds (distance) P-C4' energy: -15.355
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: -12.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -182.196850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.196850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.196850 (E_RNA)
where:
Base-Base interactions energy: -105.359
where: short stacking energy: -52.641
Base-Backbone interact. energy: -0.192
local terms energy: -76.645803
where:
bonds (distance) C4'-P energy: -16.046
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -16.649
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -17.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -146.461914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.461914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.461914 (E_RNA)
where:
Base-Base interactions energy: -86.022
where: short stacking energy: -54.931
Base-Backbone interact. energy: -0.055
local terms energy: -60.384903
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -9.202
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -15.441
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: 4
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -130.542400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.542400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.542400 (E_RNA)
where:
Base-Base interactions energy: -58.827
where: short stacking energy: -54.016
Base-Backbone interact. energy: -0.001
local terms energy: -71.714113
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -13.901
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -14.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -101.449523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.449523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.449523 (E_RNA)
where:
Base-Base interactions energy: -43.336
where: short stacking energy: -39.940
Base-Backbone interact. energy: -0.126
local terms energy: -57.987952
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -11.227
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -7.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -106.150477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.150477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.150477 (E_RNA)
where:
Base-Base interactions energy: -54.037
where: short stacking energy: -34.461
Base-Backbone interact. energy: -0.012
local terms energy: -52.101547
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -13.953
flat angles C4'-P-C4' energy: -9.875
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -4.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -101.976906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.976906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.976906 (E_RNA)
where:
Base-Base interactions energy: -51.583
where: short stacking energy: -27.636
Base-Backbone interact. energy: -0.260
local terms energy: -50.134050
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -12.580
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -7.593
tors. eta vs tors. theta energy: -3.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -88.929744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.929744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.929744 (E_RNA)
where:
Base-Base interactions energy: -42.123
where: short stacking energy: -37.518
Base-Backbone interact. energy: -0.082
local terms energy: -46.724644
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -7.912
flat angles P-C4'-P energy: -6.406
tors. eta vs tors. theta energy: -4.637
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: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -87.803750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.803750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.803750 (E_RNA)
where:
Base-Base interactions energy: -34.187
where: short stacking energy: -22.783
Base-Backbone interact. energy: -1.429
local terms energy: -52.187841
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -9.026
flat angles P-C4'-P energy: -10.915
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: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -84.440888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.440888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.440888 (E_RNA)
where:
Base-Base interactions energy: -36.012
where: short stacking energy: -31.074
Base-Backbone interact. energy: -0.091
local terms energy: -48.337821
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -12.859
flat angles C4'-P-C4' energy: -11.091
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -2.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -185.958791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.958791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.958791 (E_RNA)
where:
Base-Base interactions energy: -112.663
where: short stacking energy: -58.622
Base-Backbone interact. energy: -0.139
local terms energy: -73.156755
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -17.764
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: 2, replica: 2
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -188.139829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.139829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.139829 (E_RNA)
where:
Base-Base interactions energy: -130.426
where: short stacking energy: -42.866
Base-Backbone interact. energy: -1.099
local terms energy: -56.614706
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -9.537
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -6.795
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: 3, replica: 4
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -152.977822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.977822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.977822 (E_RNA)
where:
Base-Base interactions energy: -96.151
where: short stacking energy: -52.199
Base-Backbone interact. energy: -0.145
local terms energy: -56.681421
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -4.663
tors. eta vs tors. theta energy: -8.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -177.169123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.169123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.169123 (E_RNA)
where:
Base-Base interactions energy: -106.323
where: short stacking energy: -54.141
Base-Backbone interact. energy: -0.005
local terms energy: -70.841886
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -16.616
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -16.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -108.297181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.297181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.297181 (E_RNA)
where:
Base-Base interactions energy: -52.203
where: short stacking energy: -36.215
Base-Backbone interact. energy: -0.169
local terms energy: -55.925784
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -13.228
flat angles C4'-P-C4' energy: -11.455
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -5.281
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: 6, replica: 5
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -116.129058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.129058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.129058 (E_RNA)
where:
Base-Base interactions energy: -70.991
where: short stacking energy: -41.170
Base-Backbone interact. energy: -0.253
local terms energy: -44.885790
where:
bonds (distance) C4'-P energy: -9.781
bonds (distance) P-C4' energy: -13.957
flat angles C4'-P-C4' energy: -11.655
flat angles P-C4'-P energy: -4.568
tors. eta vs tors. theta energy: -4.925
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: 7, replica: 7
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -104.056797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.056797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.056797 (E_RNA)
where:
Base-Base interactions energy: -53.023
where: short stacking energy: -31.353
Base-Backbone interact. energy: 0.122
local terms energy: -51.155968
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -9.799
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -5.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -101.767965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.767965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.767965 (E_RNA)
where:
Base-Base interactions energy: -39.942
where: short stacking energy: -22.337
Base-Backbone interact. energy: -0.122
local terms energy: -61.703930
where:
bonds (distance) C4'-P energy: -15.898
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -7.770
tors. eta vs tors. theta energy: -5.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -83.486742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.486742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.486742 (E_RNA)
where:
Base-Base interactions energy: -38.333
where: short stacking energy: -28.549
Base-Backbone interact. energy: -0.218
local terms energy: -44.935290
where:
bonds (distance) C4'-P energy: -7.859
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -11.705
tors. eta vs tors. theta energy: -0.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -82.946796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.946796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.946796 (E_RNA)
where:
Base-Base interactions energy: -47.118
where: short stacking energy: -28.573
Base-Backbone interact. energy: -0.267
local terms energy: -35.562008
where:
bonds (distance) C4'-P energy: -10.579
bonds (distance) P-C4' energy: -11.990
flat angles C4'-P-C4' energy: -4.859
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: 1.209
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: 3
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -188.251016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.251016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.251016 (E_RNA)
where:
Base-Base interactions energy: -110.653
where: short stacking energy: -63.039
Base-Backbone interact. energy: -0.040
local terms energy: -77.558238
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -17.521
flat angles C4'-P-C4' energy: -17.898
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -19.078
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: 4
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -176.785478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.785478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.785478 (E_RNA)
where:
Base-Base interactions energy: -109.049
where: short stacking energy: -60.801
Base-Backbone interact. energy: -0.054
local terms energy: -67.683197
where:
bonds (distance) C4'-P energy: -16.604
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -8.107
tors. eta vs tors. theta energy: -11.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -173.049715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.049715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.049715 (E_RNA)
where:
Base-Base interactions energy: -108.702
where: short stacking energy: -66.339
Base-Backbone interact. energy: 0.201
local terms energy: -64.548215
where:
bonds (distance) C4'-P energy: -8.373
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -13.399
tors. eta vs tors. theta energy: -11.732
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: 7
Temperature: 1.050000
Total energy: -177.199178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.199178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.199178 (E_RNA)
where:
Base-Base interactions energy: -100.617
where: short stacking energy: -63.557
Base-Backbone interact. energy: -0.681
local terms energy: -75.901680
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -18.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -98.290115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.290115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.290115 (E_RNA)
where:
Base-Base interactions energy: -44.201
where: short stacking energy: -33.624
Base-Backbone interact. energy: -0.058
local terms energy: -54.031139
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -12.287
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: -3.428
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: 7
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -104.609659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.609659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.609659 (E_RNA)
where:
Base-Base interactions energy: -54.306
where: short stacking energy: -35.164
Base-Backbone interact. energy: 1.897
local terms energy: -52.200591
where:
bonds (distance) C4'-P energy: -16.983
bonds (distance) P-C4' energy: -13.333
flat angles C4'-P-C4' energy: -7.515
flat angles P-C4'-P energy: -7.958
tors. eta vs tors. theta energy: -6.411
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: 5
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -129.534580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.534580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.534580 (E_RNA)
where:
Base-Base interactions energy: -78.244
where: short stacking energy: -33.171
Base-Backbone interact. energy: -0.424
local terms energy: -50.866532
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: -0.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -94.179836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.179836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.179836 (E_RNA)
where:
Base-Base interactions energy: -45.388
where: short stacking energy: -23.877
Base-Backbone interact. energy: -0.456
local terms energy: -48.335844
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -12.322
flat angles P-C4'-P energy: -6.044
tors. eta vs tors. theta energy: -3.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -98.380434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.380434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.380434 (E_RNA)
where:
Base-Base interactions energy: -43.249
where: short stacking energy: -42.021
Base-Backbone interact. energy: -0.018
local terms energy: -55.113511
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -10.911
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -10.305
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: 6
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -85.066736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.066736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.066736 (E_RNA)
where:
Base-Base interactions energy: -28.750
where: short stacking energy: -28.750
Base-Backbone interact. energy: -0.249
local terms energy: -56.067968
where:
bonds (distance) C4'-P energy: -8.829
bonds (distance) P-C4' energy: -13.298
flat angles C4'-P-C4' energy: -17.284
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -5.374
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: 1, replica: 4
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -181.923084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.923084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.923084 (E_RNA)
where:
Base-Base interactions energy: -113.904
where: short stacking energy: -57.137
Base-Backbone interact. energy: -0.088
local terms energy: -67.931087
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: -13.881
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: 2, replica: 3
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -189.359694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.359694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.359694 (E_RNA)
where:
Base-Base interactions energy: -116.579
where: short stacking energy: -67.267
Base-Backbone interact. energy: -0.022
local terms energy: -72.758551
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -6.241
tors. eta vs tors. theta energy: -17.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -176.933196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.933196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.933196 (E_RNA)
where:
Base-Base interactions energy: -106.855
where: short stacking energy: -51.804
Base-Backbone interact. energy: -0.315
local terms energy: -69.763498
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -6.347
tors. eta vs tors. theta energy: -15.601
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: 2
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -160.891550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.891550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.891550 (E_RNA)
where:
Base-Base interactions energy: -102.933
where: short stacking energy: -62.010
Base-Backbone interact. energy: -0.012
local terms energy: -57.946942
where:
bonds (distance) C4'-P energy: -17.344
bonds (distance) P-C4' energy: -12.797
flat angles C4'-P-C4' energy: -7.353
flat angles P-C4'-P energy: -6.521
tors. eta vs tors. theta energy: -13.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -161.034545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.034545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.034545 (E_RNA)
where:
Base-Base interactions energy: -108.584
where: short stacking energy: -34.542
Base-Backbone interact. energy: -0.441
local terms energy: -52.009939
where:
bonds (distance) C4'-P energy: -13.310
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -11.349
flat angles P-C4'-P energy: -7.479
tors. eta vs tors. theta energy: -7.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -106.929482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.929482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.929482 (E_RNA)
where:
Base-Base interactions energy: -47.636
where: short stacking energy: -31.116
Base-Backbone interact. energy: -0.192
local terms energy: -59.101250
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -16.775
flat angles P-C4'-P energy: -5.845
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: 7, replica: 5
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -112.036346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.036346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.036346 (E_RNA)
where:
Base-Base interactions energy: -57.129
where: short stacking energy: -33.359
Base-Backbone interact. energy: -0.155
local terms energy: -54.752682
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -7.476
tors. eta vs tors. theta energy: -3.033
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: 10
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -93.845720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.845720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.845720 (E_RNA)
where:
Base-Base interactions energy: -34.495
where: short stacking energy: -28.438
Base-Backbone interact. energy: -0.109
local terms energy: -59.241658
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -13.804
flat angles C4'-P-C4' energy: -11.690
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -7.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -87.904407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.904407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.904407 (E_RNA)
where:
Base-Base interactions energy: -35.892
where: short stacking energy: -23.400
Base-Backbone interact. energy: -0.228
local terms energy: -51.784346
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -13.311
flat angles P-C4'-P energy: -7.011
tors. eta vs tors. theta energy: -4.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -77.526166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.526166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.526166 (E_RNA)
where:
Base-Base interactions energy: -25.692
where: short stacking energy: -23.042
Base-Backbone interact. energy: -0.123
local terms energy: -51.711373
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -16.303
flat angles C4'-P-C4' energy: -6.320
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -4.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -196.325184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.325184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.325184 (E_RNA)
where:
Base-Base interactions energy: -120.257
where: short stacking energy: -66.316
Base-Backbone interact. energy: -0.003
local terms energy: -76.065337
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -9.056
tors. eta vs tors. theta energy: -19.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -195.895871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.895871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.895871 (E_RNA)
where:
Base-Base interactions energy: -119.091
where: short stacking energy: -63.341
Base-Backbone interact. energy: -0.007
local terms energy: -76.798317
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -14.926
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -11.216
tors. eta vs tors. theta energy: -20.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -174.135808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.135808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.135808 (E_RNA)
where:
Base-Base interactions energy: -104.517
where: short stacking energy: -55.063
Base-Backbone interact. energy: -0.076
local terms energy: -69.543286
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -10.226
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -17.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -155.535855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.535855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.535855 (E_RNA)
where:
Base-Base interactions energy: -96.438
where: short stacking energy: -47.934
Base-Backbone interact. energy: -0.108
local terms energy: -58.989967
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -10.907
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -8.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -163.008503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.008503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.008503 (E_RNA)
where:
Base-Base interactions energy: -101.865
where: short stacking energy: -48.757
Base-Backbone interact. energy: -0.180
local terms energy: -60.962930
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -10.830
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -8.233
tors. eta vs tors. theta energy: -10.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -96.711317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.711317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.711317 (E_RNA)
where:
Base-Base interactions energy: -38.518
where: short stacking energy: -27.692
Base-Backbone interact. energy: -0.191
local terms energy: -58.002285
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -9.325
tors. eta vs tors. theta energy: -4.261
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: 7, replica: 5
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -113.944776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.944776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.944776 (E_RNA)
where:
Base-Base interactions energy: -57.291
where: short stacking energy: -35.920
Base-Backbone interact. energy: -0.127
local terms energy: -56.526670
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -13.997
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -5.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -85.913916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.913916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.913916 (E_RNA)
where:
Base-Base interactions energy: -33.068
where: short stacking energy: -31.929
Base-Backbone interact. energy: -0.063
local terms energy: -52.782390
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -5.957
tors. eta vs tors. theta energy: -3.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -86.945180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.945180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.945180 (E_RNA)
where:
Base-Base interactions energy: -37.605
where: short stacking energy: -26.651
Base-Backbone interact. energy: 0.370
local terms energy: -49.710141
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -12.607
flat angles C4'-P-C4' energy: -11.258
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -4.273
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: 8
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -89.715192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.715192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.715192 (E_RNA)
where:
Base-Base interactions energy: -47.222
where: short stacking energy: -26.559
Base-Backbone interact. energy: 0.207
local terms energy: -42.700029
where:
bonds (distance) C4'-P energy: -10.426
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -8.111
flat angles P-C4'-P energy: -6.939
tors. eta vs tors. theta energy: -1.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -197.512555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.512555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.512555 (E_RNA)
where:
Base-Base interactions energy: -120.901
where: short stacking energy: -69.519
Base-Backbone interact. energy: -0.002
local terms energy: -76.609279
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -12.434
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -12.051
tors. eta vs tors. theta energy: -19.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -191.929641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.929641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.929641 (E_RNA)
where:
Base-Base interactions energy: -121.628
where: short stacking energy: -71.029
Base-Backbone interact. energy: -0.093
local terms energy: -70.208504
where:
bonds (distance) C4'-P energy: -12.825
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -16.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -185.858836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.858836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.858836 (E_RNA)
where:
Base-Base interactions energy: -118.562
where: short stacking energy: -56.437
Base-Backbone interact. energy: -0.536
local terms energy: -66.760063
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -12.030
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -16.205
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: 4, replica: 7
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -170.093775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.093775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.093775 (E_RNA)
where:
Base-Base interactions energy: -100.917
where: short stacking energy: -62.816
Base-Backbone interact. energy: -0.005
local terms energy: -69.171033
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -7.481
tors. eta vs tors. theta energy: -16.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -200.890114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.890114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.890114 (E_RNA)
where:
Base-Base interactions energy: -127.801
where: short stacking energy: -66.477
Base-Backbone interact. energy: -0.324
local terms energy: -72.764881
where:
bonds (distance) C4'-P energy: -12.805
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -14.119
tors. eta vs tors. theta energy: -17.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -84.397214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.397214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.397214 (E_RNA)
where:
Base-Base interactions energy: -34.377
where: short stacking energy: -34.054
Base-Backbone interact. energy: -0.011
local terms energy: -50.009641
where:
bonds (distance) C4'-P energy: -10.252
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -10.880
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: -3.969
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: 6
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -86.424279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.424279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.424279 (E_RNA)
where:
Base-Base interactions energy: -38.420
where: short stacking energy: -38.420
Base-Backbone interact. energy: -0.061
local terms energy: -47.942998
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -12.001
flat angles P-C4'-P energy: -4.832
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: 8, replica: 5
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -104.770281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.770281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.770281 (E_RNA)
where:
Base-Base interactions energy: -45.353
where: short stacking energy: -28.176
Base-Backbone interact. energy: -0.077
local terms energy: -59.340439
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -10.949
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -5.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -83.120458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.120458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.120458 (E_RNA)
where:
Base-Base interactions energy: -31.702
where: short stacking energy: -19.242
Base-Backbone interact. energy: -1.357
local terms energy: -50.061294
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -16.699
flat angles C4'-P-C4' energy: -11.809
flat angles P-C4'-P energy: -6.751
tors. eta vs tors. theta energy: -0.451
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: 10
Temperature: 1.350000
Total energy: -72.717283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.717283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.717283 (E_RNA)
where:
Base-Base interactions energy: -21.538
where: short stacking energy: -21.538
Base-Backbone interact. energy: -0.179
local terms energy: -51.000271
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -9.309
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: -4.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -201.183926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.183926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.183926 (E_RNA)
where:
Base-Base interactions energy: -132.682
where: short stacking energy: -64.972
Base-Backbone interact. energy: -0.073
local terms energy: -68.428915
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -4.379
tors. eta vs tors. theta energy: -16.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -187.099872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.099872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.099872 (E_RNA)
where:
Base-Base interactions energy: -122.176
where: short stacking energy: -61.462
Base-Backbone interact. energy: -0.011
local terms energy: -64.913196
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -6.892
tors. eta vs tors. theta energy: -10.373
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: 4
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -182.973618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.973618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.973618 (E_RNA)
where:
Base-Base interactions energy: -112.662
where: short stacking energy: -56.877
Base-Backbone interact. energy: -0.006
local terms energy: -70.305894
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -17.461
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -15.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -209.612254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.612254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.612254 (E_RNA)
where:
Base-Base interactions energy: -140.371
where: short stacking energy: -63.735
Base-Backbone interact. energy: -0.053
local terms energy: -69.188524
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -10.813
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -12.038
tors. eta vs tors. theta energy: -20.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -176.638085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.638085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.638085 (E_RNA)
where:
Base-Base interactions energy: -118.327
where: short stacking energy: -57.603
Base-Backbone interact. energy: -0.027
local terms energy: -58.284814
where:
bonds (distance) C4'-P energy: -11.383
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -6.342
tors. eta vs tors. theta energy: -14.323
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: 6, replica: 6
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -95.599326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.599326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.599326 (E_RNA)
where:
Base-Base interactions energy: -43.807
where: short stacking energy: -28.339
Base-Backbone interact. energy: -0.155
local terms energy: -51.636921
where:
bonds (distance) C4'-P energy: -9.121
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -2.101
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: 11
Temperature: 1.200000
Total energy: -93.303939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.303939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.303939 (E_RNA)
where:
Base-Base interactions energy: -37.677
where: short stacking energy: -23.261
Base-Backbone interact. energy: -0.220
local terms energy: -55.406271
where:
bonds (distance) C4'-P energy: -10.095
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: -1.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -95.587438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.587438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.587438 (E_RNA)
where:
Base-Base interactions energy: -49.828
where: short stacking energy: -34.276
Base-Backbone interact. energy: 0.158
local terms energy: -45.917245
where:
bonds (distance) C4'-P energy: -12.044
bonds (distance) P-C4' energy: -8.818
flat angles C4'-P-C4' energy: -12.440
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -3.988
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: 9, replica: 5
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -84.827943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.827943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.827943 (E_RNA)
where:
Base-Base interactions energy: -37.490
where: short stacking energy: -19.339
Base-Backbone interact. energy: -1.041
local terms energy: -46.297264
where:
bonds (distance) C4'-P energy: -12.913
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -6.242
tors. eta vs tors. theta energy: 2.611
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: 11
Temperature: 1.350000
Total energy: -75.274626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.274626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.274626 (E_RNA)
where:
Base-Base interactions energy: -32.380
where: short stacking energy: -24.286
Base-Backbone interact. energy: -0.135
local terms energy: -42.759829
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -9.863
flat angles P-C4'-P energy: -3.155
tors. eta vs tors. theta energy: 3.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -196.696394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.696394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.696394 (E_RNA)
where:
Base-Base interactions energy: -126.658
where: short stacking energy: -66.772
Base-Backbone interact. energy: -0.076
local terms energy: -69.961969
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -16.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -197.409084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.409084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.409084 (E_RNA)
where:
Base-Base interactions energy: -119.720
where: short stacking energy: -65.499
Base-Backbone interact. energy: -0.063
local terms energy: -77.626455
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: -17.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -201.471371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.471371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.471371 (E_RNA)
where:
Base-Base interactions energy: -128.482
where: short stacking energy: -62.016
Base-Backbone interact. energy: 0.709
local terms energy: -73.698123
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -16.797
flat angles P-C4'-P energy: -12.707
tors. eta vs tors. theta energy: -15.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -183.110641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.110641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.110641 (E_RNA)
where:
Base-Base interactions energy: -117.342
where: short stacking energy: -52.780
Base-Backbone interact. energy: -0.372
local terms energy: -65.396613
where:
bonds (distance) C4'-P energy: -9.202
bonds (distance) P-C4' energy: -19.156
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -10.650
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: 7
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -183.434790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.434790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.434790 (E_RNA)
where:
Base-Base interactions energy: -107.993
where: short stacking energy: -56.100
Base-Backbone interact. energy: -0.019
local terms energy: -75.422903
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -11.477
tors. eta vs tors. theta energy: -15.123
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: 6
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -101.072930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.072930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.072930 (E_RNA)
where:
Base-Base interactions energy: -43.300
where: short stacking energy: -27.858
Base-Backbone interact. energy: -0.199
local terms energy: -57.574082
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -14.545
flat angles P-C4'-P energy: -12.273
tors. eta vs tors. theta energy: -1.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -89.671941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.671941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.671941 (E_RNA)
where:
Base-Base interactions energy: -42.385
where: short stacking energy: -37.584
Base-Backbone interact. energy: -0.011
local terms energy: -47.276139
where:
bonds (distance) C4'-P energy: -10.649
bonds (distance) P-C4' energy: -7.425
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -7.697
tors. eta vs tors. theta energy: -7.355
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: 8, replica: 9
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -83.916121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.916121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.916121 (E_RNA)
where:
Base-Base interactions energy: -31.301
where: short stacking energy: -25.458
Base-Backbone interact. energy: -0.347
local terms energy: -52.268364
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -12.129
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -12.418
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)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -87.011284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.011284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.011284 (E_RNA)
where:
Base-Base interactions energy: -34.194
where: short stacking energy: -34.194
Base-Backbone interact. energy: -0.851
local terms energy: -51.966002
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -9.947
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -6.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -72.765387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.765387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.765387 (E_RNA)
where:
Base-Base interactions energy: -23.300
where: short stacking energy: -20.000
Base-Backbone interact. energy: -0.124
local terms energy: -49.340739
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -13.847
flat angles C4'-P-C4' energy: -9.357
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -3.789
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: 1
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -202.004439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.004439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.004439 (E_RNA)
where:
Base-Base interactions energy: -130.698
where: short stacking energy: -59.386
Base-Backbone interact. energy: -0.215
local terms energy: -71.091630
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -11.654
tors. eta vs tors. theta energy: -14.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -222.995443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.995443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.995443 (E_RNA)
where:
Base-Base interactions energy: -146.723
where: short stacking energy: -70.608
Base-Backbone interact. energy: -0.187
local terms energy: -76.085763
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: -18.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -184.736603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.736603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.736603 (E_RNA)
where:
Base-Base interactions energy: -126.944
where: short stacking energy: -64.310
Base-Backbone interact. energy: -0.246
local terms energy: -57.546420
where:
bonds (distance) C4'-P energy: -6.637
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -14.041
flat angles P-C4'-P energy: -4.884
tors. eta vs tors. theta energy: -17.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -170.420336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.420336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.420336 (E_RNA)
where:
Base-Base interactions energy: -106.280
where: short stacking energy: -50.924
Base-Backbone interact. energy: -0.067
local terms energy: -64.073775
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: -12.336
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: 13
Temperature: 1.100000
Total energy: -184.400676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.400676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.400676 (E_RNA)
where:
Base-Base interactions energy: -110.683
where: short stacking energy: -53.734
Base-Backbone interact. energy: -0.002
local terms energy: -73.715869
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -18.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -94.243311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.243311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.243311 (E_RNA)
where:
Base-Base interactions energy: -41.493
where: short stacking energy: -41.493
Base-Backbone interact. energy: -0.028
local terms energy: -52.722760
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -11.505
flat angles C4'-P-C4' energy: -11.655
flat angles P-C4'-P energy: -6.591
tors. eta vs tors. theta energy: -7.255
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: 6
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -93.438131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.438131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.438131 (E_RNA)
where:
Base-Base interactions energy: -42.874
where: short stacking energy: -42.158
Base-Backbone interact. energy: -0.128
local terms energy: -50.435826
where:
bonds (distance) C4'-P energy: -7.348
bonds (distance) P-C4' energy: -12.354
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -6.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -99.592972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.592972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.592972 (E_RNA)
where:
Base-Base interactions energy: -52.243
where: short stacking energy: -36.566
Base-Backbone interact. energy: -0.529
local terms energy: -46.821420
where:
bonds (distance) C4'-P energy: -9.128
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -10.838
flat angles P-C4'-P energy: -2.964
tors. eta vs tors. theta energy: -8.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -78.835986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.835986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.835986 (E_RNA)
where:
Base-Base interactions energy: -32.917
where: short stacking energy: -32.917
Base-Backbone interact. energy: -0.069
local terms energy: -45.850873
where:
bonds (distance) C4'-P energy: -8.703
bonds (distance) P-C4' energy: -12.068
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -6.518
tors. eta vs tors. theta energy: -4.769
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: 13
Temperature: 1.350000
Total energy: -79.898748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.898748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.898748 (E_RNA)
where:
Base-Base interactions energy: -38.240
where: short stacking energy: -32.752
Base-Backbone interact. energy: -0.069
local terms energy: -41.589532
where:
bonds (distance) C4'-P energy: -8.174
bonds (distance) P-C4' energy: -9.127
flat angles C4'-P-C4' energy: -9.444
flat angles P-C4'-P energy: -11.688
tors. eta vs tors. theta energy: -3.156
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: 2
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -218.041067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.041067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.041067 (E_RNA)
where:
Base-Base interactions energy: -143.281
where: short stacking energy: -67.887
Base-Backbone interact. energy: -0.109
local terms energy: -74.651298
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -13.549
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: 2, replica: 1
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -192.887193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.887193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.887193 (E_RNA)
where:
Base-Base interactions energy: -124.073
where: short stacking energy: -75.645
Base-Backbone interact. energy: -0.202
local terms energy: -68.612400
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -12.727
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -16.786
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: 14
Temperature: 1.000000
Total energy: -196.508486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.508486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.508486 (E_RNA)
where:
Base-Base interactions energy: -123.706
where: short stacking energy: -62.439
Base-Backbone interact. energy: -0.050
local terms energy: -72.753134
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: -17.141
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: 3
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -188.129029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.129029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.129029 (E_RNA)
where:
Base-Base interactions energy: -112.396
where: short stacking energy: -55.112
Base-Backbone interact. energy: -0.006
local terms energy: -75.727185
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -16.811
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -16.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -189.408117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.408117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.408117 (E_RNA)
where:
Base-Base interactions energy: -122.679
where: short stacking energy: -58.382
Base-Backbone interact. energy: -0.042
local terms energy: -66.686711
where:
bonds (distance) C4'-P energy: -15.226
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -11.269
flat angles P-C4'-P energy: -7.263
tors. eta vs tors. theta energy: -18.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -98.285928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.285928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.285928 (E_RNA)
where:
Base-Base interactions energy: -41.745
where: short stacking energy: -32.865
Base-Backbone interact. energy: -0.001
local terms energy: -56.539616
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -11.839
flat angles C4'-P-C4' energy: -13.773
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -6.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -97.046988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.046988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.046988 (E_RNA)
where:
Base-Base interactions energy: -40.164
where: short stacking energy: -26.923
Base-Backbone interact. energy: -0.001
local terms energy: -56.881706
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -10.477
flat angles P-C4'-P energy: -8.430
tors. eta vs tors. theta energy: -8.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -91.195704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.195704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.195704 (E_RNA)
where:
Base-Base interactions energy: -36.689
where: short stacking energy: -36.689
Base-Backbone interact. energy: -0.054
local terms energy: -54.452715
where:
bonds (distance) C4'-P energy: -9.598
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -7.132
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: 14
Temperature: 1.300000
Total energy: -77.939354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.939354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.939354 (E_RNA)
where:
Base-Base interactions energy: -30.649
where: short stacking energy: -23.718
Base-Backbone interact. energy: -0.164
local terms energy: -47.126929
where:
bonds (distance) C4'-P energy: -12.113
bonds (distance) P-C4' energy: -10.262
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -9.258
tors. eta vs tors. theta energy: -1.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -74.981437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.981437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.981437 (E_RNA)
where:
Base-Base interactions energy: -19.753
where: short stacking energy: -16.442
Base-Backbone interact. energy: -0.208
local terms energy: -55.020856
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -12.919
flat angles P-C4'-P energy: -8.512
tors. eta vs tors. theta energy: -2.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -229.562211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.562211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.562211 (E_RNA)
where:
Base-Base interactions energy: -148.112
where: short stacking energy: -68.303
Base-Backbone interact. energy: -0.763
local terms energy: -80.687756
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -19.085
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -20.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -196.039755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.039755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.039755 (E_RNA)
where:
Base-Base interactions energy: -128.678
where: short stacking energy: -69.977
Base-Backbone interact. energy: -0.001
local terms energy: -67.360627
where:
bonds (distance) C4'-P energy: -12.495
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -11.340
flat angles P-C4'-P energy: -6.363
tors. eta vs tors. theta energy: -20.485
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: 1
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -191.919653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.919653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.919653 (E_RNA)
where:
Base-Base interactions energy: -120.361
where: short stacking energy: -65.588
Base-Backbone interact. energy: -0.001
local terms energy: -71.557551
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -13.030
flat angles P-C4'-P energy: -12.934
tors. eta vs tors. theta energy: -18.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -193.193720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.193720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.193720 (E_RNA)
where:
Base-Base interactions energy: -124.259
where: short stacking energy: -58.458
Base-Backbone interact. energy: -0.128
local terms energy: -68.807093
where:
bonds (distance) C4'-P energy: -16.355
bonds (distance) P-C4' energy: -13.674
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -14.284
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: 5, replica: 3
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -175.665481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.665481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.665481 (E_RNA)
where:
Base-Base interactions energy: -111.455
where: short stacking energy: -50.452
Base-Backbone interact. energy: 0.914
local terms energy: -65.124384
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -7.513
tors. eta vs tors. theta energy: -12.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -108.862939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.862939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.862939 (E_RNA)
where:
Base-Base interactions energy: -53.695
where: short stacking energy: -41.991
Base-Backbone interact. energy: 0.338
local terms energy: -55.505493
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -6.926
tors. eta vs tors. theta energy: -9.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -101.456437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.456437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.456437 (E_RNA)
where:
Base-Base interactions energy: -51.628
where: short stacking energy: -37.647
Base-Backbone interact. energy: -0.033
local terms energy: -49.795184
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -3.251
tors. eta vs tors. theta energy: -4.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -126.608679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.608679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.608679 (E_RNA)
where:
Base-Base interactions energy: -78.068
where: short stacking energy: -40.642
Base-Backbone interact. energy: -0.159
local terms energy: -48.381970
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -13.636
flat angles C4'-P-C4' energy: -12.024
flat angles P-C4'-P energy: -3.538
tors. eta vs tors. theta energy: -5.541
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: 6
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -86.187680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.187680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.187680 (E_RNA)
where:
Base-Base interactions energy: -36.622
where: short stacking energy: -29.031
Base-Backbone interact. energy: -0.197
local terms energy: -49.368540
where:
bonds (distance) C4'-P energy: -6.071
bonds (distance) P-C4' energy: -17.623
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -6.363
tors. eta vs tors. theta energy: -2.164
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: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -80.717405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.717405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.717405 (E_RNA)
where:
Base-Base interactions energy: -34.631
where: short stacking energy: -27.599
Base-Backbone interact. energy: -0.306
local terms energy: -45.780234
where:
bonds (distance) C4'-P energy: -10.787
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -12.254
flat angles P-C4'-P energy: -4.267
tors. eta vs tors. theta energy: -0.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -229.389173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.389173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.389173 (E_RNA)
where:
Base-Base interactions energy: -145.013
where: short stacking energy: -72.657
Base-Backbone interact. energy: -0.002
local terms energy: -84.373791
where:
bonds (distance) C4'-P energy: -12.075
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -18.036
flat angles P-C4'-P energy: -14.291
tors. eta vs tors. theta energy: -21.984
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: 2, replica: 7
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -189.124319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.124319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.124319 (E_RNA)
where:
Base-Base interactions energy: -118.623
where: short stacking energy: -53.260
Base-Backbone interact. energy: -0.777
local terms energy: -69.723803
where:
bonds (distance) C4'-P energy: -17.258
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: -11.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -191.656932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.656932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.656932 (E_RNA)
where:
Base-Base interactions energy: -122.530
where: short stacking energy: -64.712
Base-Backbone interact. energy: -0.003
local terms energy: -69.123626
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -17.338
flat angles P-C4'-P energy: -5.350
tors. eta vs tors. theta energy: -16.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -185.926762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.926762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.926762 (E_RNA)
where:
Base-Base interactions energy: -115.533
where: short stacking energy: -63.527
Base-Backbone interact. energy: 0.051
local terms energy: -70.444424
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -13.534
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -18.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -169.759376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.759376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.759376 (E_RNA)
where:
Base-Base interactions energy: -109.636
where: short stacking energy: -56.101
Base-Backbone interact. energy: 0.216
local terms energy: -60.339433
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -11.446
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -9.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -102.048258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.048258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.048258 (E_RNA)
where:
Base-Base interactions energy: -48.009
where: short stacking energy: -42.068
Base-Backbone interact. energy: -0.067
local terms energy: -53.971831
where:
bonds (distance) C4'-P energy: -10.236
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -4.492
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: 7, replica: 10
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -147.256993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.256993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.256993 (E_RNA)
where:
Base-Base interactions energy: -87.999
where: short stacking energy: -50.720
Base-Backbone interact. energy: 0.576
local terms energy: -59.834219
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -11.788
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -13.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -74.603611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.603611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.603611 (E_RNA)
where:
Base-Base interactions energy: -28.731
where: short stacking energy: -21.171
Base-Backbone interact. energy: -0.717
local terms energy: -45.156230
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -15.634
flat angles C4'-P-C4' energy: -12.999
flat angles P-C4'-P energy: -4.663
tors. eta vs tors. theta energy: 0.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -84.166298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.166298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.166298 (E_RNA)
where:
Base-Base interactions energy: -27.148
where: short stacking energy: -23.757
Base-Backbone interact. energy: -0.164
local terms energy: -56.854158
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -13.956
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -9.783
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: 10, replica: 6
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -88.402292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.402292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.402292 (E_RNA)
where:
Base-Base interactions energy: -41.796
where: short stacking energy: -36.063
Base-Backbone interact. energy: -0.281
local terms energy: -46.325011
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -11.202
flat angles C4'-P-C4' energy: -8.281
flat angles P-C4'-P energy: -7.404
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: 17
Temperature: 0.900000
Total energy: -228.971126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.971126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.971126 (E_RNA)
where:
Base-Base interactions energy: -155.879
where: short stacking energy: -70.374
Base-Backbone interact. energy: -0.022
local terms energy: -73.070233
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -15.998
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -16.522
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: 4
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -209.688535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.688535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.688535 (E_RNA)
where:
Base-Base interactions energy: -134.834
where: short stacking energy: -73.799
Base-Backbone interact. energy: -0.016
local terms energy: -74.838124
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -16.389
flat angles P-C4'-P energy: -7.742
tors. eta vs tors. theta energy: -22.267
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: 7
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -179.440098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.440098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.440098 (E_RNA)
where:
Base-Base interactions energy: -110.636
where: short stacking energy: -58.210
Base-Backbone interact. energy: -0.097
local terms energy: -68.706939
where:
bonds (distance) C4'-P energy: -15.169
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -7.037
tors. eta vs tors. theta energy: -13.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -178.965535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.965535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.965535 (E_RNA)
where:
Base-Base interactions energy: -106.304
where: short stacking energy: -60.457
Base-Backbone interact. energy: -0.070
local terms energy: -72.590790
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -18.028
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: 5, replica: 1
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -173.577962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.577962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.577962 (E_RNA)
where:
Base-Base interactions energy: -113.588
where: short stacking energy: -53.891
Base-Backbone interact. energy: -0.077
local terms energy: -59.913425
where:
bonds (distance) C4'-P energy: -7.492
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -14.649
flat angles P-C4'-P energy: -7.393
tors. eta vs tors. theta energy: -14.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -164.570768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.570768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.570768 (E_RNA)
where:
Base-Base interactions energy: -103.162
where: short stacking energy: -63.307
Base-Backbone interact. energy: -0.009
local terms energy: -61.399160
where:
bonds (distance) C4'-P energy: -13.811
bonds (distance) P-C4' energy: -10.947
flat angles C4'-P-C4' energy: -11.934
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -17.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -104.457386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.457386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.457386 (E_RNA)
where:
Base-Base interactions energy: -54.370
where: short stacking energy: -34.766
Base-Backbone interact. energy: -0.355
local terms energy: -49.732283
where:
bonds (distance) C4'-P energy: -12.961
bonds (distance) P-C4' energy: -12.466
flat angles C4'-P-C4' energy: -10.425
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: -5.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -87.001113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.001113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.001113 (E_RNA)
where:
Base-Base interactions energy: -32.227
where: short stacking energy: -31.708
Base-Backbone interact. energy: -0.782
local terms energy: -53.992276
where:
bonds (distance) C4'-P energy: -11.818
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -6.461
tors. eta vs tors. theta energy: -5.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -78.471914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.471914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.471914 (E_RNA)
where:
Base-Base interactions energy: -30.743
where: short stacking energy: -27.144
Base-Backbone interact. energy: -0.149
local terms energy: -47.579732
where:
bonds (distance) C4'-P energy: -9.639
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -11.210
flat angles P-C4'-P energy: -7.245
tors. eta vs tors. theta energy: -4.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -73.153911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.153911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.153911 (E_RNA)
where:
Base-Base interactions energy: -27.298
where: short stacking energy: -26.056
Base-Backbone interact. energy: -0.073
local terms energy: -45.782819
where:
bonds (distance) C4'-P energy: -11.169
bonds (distance) P-C4' energy: -10.068
flat angles C4'-P-C4' energy: -7.611
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: -7.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -214.479879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.479879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.479879 (E_RNA)
where:
Base-Base interactions energy: -134.380
where: short stacking energy: -75.562
Base-Backbone interact. energy: -1.698
local terms energy: -78.401837
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -15.003
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -23.943
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: 2
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -223.107425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.107425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.107425 (E_RNA)
where:
Base-Base interactions energy: -148.059
where: short stacking energy: -73.839
Base-Backbone interact. energy: -0.079
local terms energy: -74.969074
where:
bonds (distance) C4'-P energy: -10.720
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -17.066
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -22.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -185.916958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.916958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.916958 (E_RNA)
where:
Base-Base interactions energy: -119.902
where: short stacking energy: -57.845
Base-Backbone interact. energy: 0.174
local terms energy: -66.189218
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -13.214
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -12.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -194.736836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.736836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.736836 (E_RNA)
where:
Base-Base interactions energy: -129.645
where: short stacking energy: -65.851
Base-Backbone interact. energy: -0.104
local terms energy: -64.987677
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -13.040
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -12.279
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: 1
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -188.938624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.938624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.938624 (E_RNA)
where:
Base-Base interactions energy: -124.426
where: short stacking energy: -52.285
Base-Backbone interact. energy: -0.744
local terms energy: -63.768898
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -13.265
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -6.943
tors. eta vs tors. theta energy: -13.557
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: 10
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -176.737823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.737823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.737823 (E_RNA)
where:
Base-Base interactions energy: -109.763
where: short stacking energy: -49.652
Base-Backbone interact. energy: -0.046
local terms energy: -66.928430
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -13.118
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -13.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -92.982704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.982704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.982704 (E_RNA)
where:
Base-Base interactions energy: -38.389
where: short stacking energy: -22.945
Base-Backbone interact. energy: -0.275
local terms energy: -54.318520
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -13.513
flat angles C4'-P-C4' energy: -13.185
flat angles P-C4'-P energy: -13.635
tors. eta vs tors. theta energy: -0.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -93.851578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.851578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.851578 (E_RNA)
where:
Base-Base interactions energy: -49.750
where: short stacking energy: -26.555
Base-Backbone interact. energy: -0.031
local terms energy: -44.070228
where:
bonds (distance) C4'-P energy: -8.766
bonds (distance) P-C4' energy: -14.090
flat angles C4'-P-C4' energy: -9.275
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -3.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -78.773506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.773506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.773506 (E_RNA)
where:
Base-Base interactions energy: -32.512
where: short stacking energy: -15.164
Base-Backbone interact. energy: -0.079
local terms energy: -46.182076
where:
bonds (distance) C4'-P energy: -15.395
bonds (distance) P-C4' energy: -10.303
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: 5.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -82.313033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.313033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.313033 (E_RNA)
where:
Base-Base interactions energy: -41.145
where: short stacking energy: -41.145
Base-Backbone interact. energy: 0.297
local terms energy: -41.465435
where:
bonds (distance) C4'-P energy: -8.890
bonds (distance) P-C4' energy: -11.473
flat angles C4'-P-C4' energy: -2.107
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -8.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -202.835653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.835653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.835653 (E_RNA)
where:
Base-Base interactions energy: -128.159
where: short stacking energy: -59.391
Base-Backbone interact. energy: -0.078
local terms energy: -74.598487
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -14.210
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -10.738
tors. eta vs tors. theta energy: -17.048
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: 2
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -226.759430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.759430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.759430 (E_RNA)
where:
Base-Base interactions energy: -157.102
where: short stacking energy: -73.478
Base-Backbone interact. energy: -0.637
local terms energy: -69.019779
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -10.982
flat angles P-C4'-P energy: -8.363
tors. eta vs tors. theta energy: -19.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -189.742567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.742567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.742567 (E_RNA)
where:
Base-Base interactions energy: -122.421
where: short stacking energy: -48.910
Base-Backbone interact. energy: -0.310
local terms energy: -67.011688
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -17.376
flat angles P-C4'-P energy: -8.823
tors. eta vs tors. theta energy: -11.463
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: 19
Temperature: 1.050000
Total energy: -198.677864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.677864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.677864 (E_RNA)
where:
Base-Base interactions energy: -140.661
where: short stacking energy: -65.861
Base-Backbone interact. energy: -0.024
local terms energy: -57.992500
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -13.076
flat angles P-C4'-P energy: -6.449
tors. eta vs tors. theta energy: -13.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -187.723599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.723599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.723599 (E_RNA)
where:
Base-Base interactions energy: -124.077
where: short stacking energy: -59.972
Base-Backbone interact. energy: -0.022
local terms energy: -63.624663
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -11.589
tors. eta vs tors. theta energy: -14.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -206.846159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.846159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.846159 (E_RNA)
where:
Base-Base interactions energy: -137.945
where: short stacking energy: -69.839
Base-Backbone interact. energy: -0.003
local terms energy: -68.898442
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -11.021
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -22.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -98.347715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.347715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.347715 (E_RNA)
where:
Base-Base interactions energy: -41.823
where: short stacking energy: -39.172
Base-Backbone interact. energy: -0.223
local terms energy: -56.302189
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -12.091
flat angles P-C4'-P energy: -7.208
tors. eta vs tors. theta energy: -7.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -98.300552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.300552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.300552 (E_RNA)
where:
Base-Base interactions energy: -54.502
where: short stacking energy: -32.239
Base-Backbone interact. energy: -0.030
local terms energy: -43.768680
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -15.597
flat angles C4'-P-C4' energy: -8.479
flat angles P-C4'-P energy: -6.523
tors. eta vs tors. theta energy: 0.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -81.773309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.773309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.773309 (E_RNA)
where:
Base-Base interactions energy: -35.888
where: short stacking energy: -29.455
Base-Backbone interact. energy: -1.887
local terms energy: -43.998368
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -10.003
flat angles P-C4'-P energy: -3.944
tors. eta vs tors. theta energy: -3.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -75.194261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.194261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.194261 (E_RNA)
where:
Base-Base interactions energy: -28.523
where: short stacking energy: -25.903
Base-Backbone interact. energy: -0.177
local terms energy: -46.494540
where:
bonds (distance) C4'-P energy: -7.107
bonds (distance) P-C4' energy: -17.743
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -5.119
tors. eta vs tors. theta energy: -1.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -232.567485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.567485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.567485 (E_RNA)
where:
Base-Base interactions energy: -154.593
where: short stacking energy: -74.310
Base-Backbone interact. energy: -0.299
local terms energy: -77.675453
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -14.298
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -14.028
tors. eta vs tors. theta energy: -19.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -207.906946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.906946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.906946 (E_RNA)
where:
Base-Base interactions energy: -129.600
where: short stacking energy: -64.378
Base-Backbone interact. energy: 1.144
local terms energy: -79.450438
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -11.565
tors. eta vs tors. theta energy: -18.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -207.818661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.818661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.818661 (E_RNA)
where:
Base-Base interactions energy: -132.786
where: short stacking energy: -63.581
Base-Backbone interact. energy: -0.017
local terms energy: -75.015871
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: -18.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -186.804065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.804065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.804065 (E_RNA)
where:
Base-Base interactions energy: -112.378
where: short stacking energy: -60.598
Base-Backbone interact. energy: -0.205
local terms energy: -74.221671
where:
bonds (distance) C4'-P energy: -10.546
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -16.847
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -17.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -207.214088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.214088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.214088 (E_RNA)
where:
Base-Base interactions energy: -132.992
where: short stacking energy: -59.442
Base-Backbone interact. energy: -0.101
local terms energy: -74.120894
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -12.840
tors. eta vs tors. theta energy: -15.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -161.051809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.051809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.051809 (E_RNA)
where:
Base-Base interactions energy: -101.702
where: short stacking energy: -47.368
Base-Backbone interact. energy: -0.928
local terms energy: -58.421430
where:
bonds (distance) C4'-P energy: -9.909
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: -9.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -96.345077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.345077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.345077 (E_RNA)
where:
Base-Base interactions energy: -45.217
where: short stacking energy: -34.934
Base-Backbone interact. energy: -0.519
local terms energy: -50.609067
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -12.050
flat angles C4'-P-C4' energy: -12.073
flat angles P-C4'-P energy: -4.271
tors. eta vs tors. theta energy: -6.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -78.953183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.953183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.953183 (E_RNA)
where:
Base-Base interactions energy: -41.526
where: short stacking energy: -18.514
Base-Backbone interact. energy: -0.396
local terms energy: -37.030754
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -5.331
flat angles P-C4'-P energy: -5.980
tors. eta vs tors. theta energy: 4.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -141.367295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.367295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.367295 (E_RNA)
where:
Base-Base interactions energy: -82.686
where: short stacking energy: -36.099
Base-Backbone interact. energy: -0.966
local terms energy: -57.715881
where:
bonds (distance) C4'-P energy: -10.253
bonds (distance) P-C4' energy: -16.502
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -6.185
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: 10, replica: 5
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -77.174900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.174900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.174900 (E_RNA)
where:
Base-Base interactions energy: -31.333
where: short stacking energy: -22.580
Base-Backbone interact. energy: -0.166
local terms energy: -45.675761
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -11.499
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -0.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -227.814015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.814015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.814015 (E_RNA)
where:
Base-Base interactions energy: -147.315
where: short stacking energy: -74.926
Base-Backbone interact. energy: -0.068
local terms energy: -80.431217
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -17.363
flat angles P-C4'-P energy: -14.034
tors. eta vs tors. theta energy: -20.672
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: 2, replica: 4
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -204.783661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.783661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.783661 (E_RNA)
where:
Base-Base interactions energy: -129.893
where: short stacking energy: -65.784
Base-Backbone interact. energy: -1.961
local terms energy: -72.929709
where:
bonds (distance) C4'-P energy: -11.492
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -21.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -203.902307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.902307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.902307 (E_RNA)
where:
Base-Base interactions energy: -131.030
where: short stacking energy: -62.532
Base-Backbone interact. energy: -0.123
local terms energy: -72.749978
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -11.799
tors. eta vs tors. theta energy: -16.079
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: 4, replica: 10
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -212.935548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.935548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.935548 (E_RNA)
where:
Base-Base interactions energy: -139.138
where: short stacking energy: -60.864
Base-Backbone interact. energy: -0.091
local terms energy: -73.706240
where:
bonds (distance) C4'-P energy: -15.805
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -17.586
flat angles P-C4'-P energy: -7.251
tors. eta vs tors. theta energy: -19.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -180.410205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.410205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.410205 (E_RNA)
where:
Base-Base interactions energy: -117.225
where: short stacking energy: -58.045
Base-Backbone interact. energy: -0.018
local terms energy: -63.167406
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -5.535
tors. eta vs tors. theta energy: -13.877
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: 21
Temperature: 1.150000
Total energy: -115.682366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.682366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.682366 (E_RNA)
where:
Base-Base interactions energy: -63.485
where: short stacking energy: -27.209
Base-Backbone interact. energy: -0.486
local terms energy: -51.711319
where:
bonds (distance) C4'-P energy: -14.220
bonds (distance) P-C4' energy: -15.682
flat angles C4'-P-C4' energy: -10.364
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -1.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -97.378775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.378775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.378775 (E_RNA)
where:
Base-Base interactions energy: -45.197
where: short stacking energy: -30.829
Base-Backbone interact. energy: -0.166
local terms energy: -52.015916
where:
bonds (distance) C4'-P energy: -7.873
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -12.325
flat angles P-C4'-P energy: -8.801
tors. eta vs tors. theta energy: -8.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -145.827927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.827927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.827927 (E_RNA)
where:
Base-Base interactions energy: -81.752
where: short stacking energy: -42.001
Base-Backbone interact. energy: -0.035
local terms energy: -64.040545
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -17.132
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -6.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -88.662990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.662990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.662990 (E_RNA)
where:
Base-Base interactions energy: -42.171
where: short stacking energy: -28.381
Base-Backbone interact. energy: -0.116
local terms energy: -46.376295
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -5.469
tors. eta vs tors. theta energy: 1.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -77.798901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.798901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.798901 (E_RNA)
where:
Base-Base interactions energy: -34.336
where: short stacking energy: -27.283
Base-Backbone interact. energy: -0.143
local terms energy: -43.320438
where:
bonds (distance) C4'-P energy: -9.339
bonds (distance) P-C4' energy: -13.238
flat angles C4'-P-C4' energy: -11.661
flat angles P-C4'-P energy: -8.702
tors. eta vs tors. theta energy: -0.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -221.612087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.612087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.612087 (E_RNA)
where:
Base-Base interactions energy: -148.490
where: short stacking energy: -74.996
Base-Backbone interact. energy: 1.690
local terms energy: -74.811740
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -19.977
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: 4
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -197.565521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.565521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.565521 (E_RNA)
where:
Base-Base interactions energy: -129.803
where: short stacking energy: -57.273
Base-Backbone interact. energy: -0.088
local terms energy: -67.674903
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -12.984
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -11.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -225.138009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.138009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.138009 (E_RNA)
where:
Base-Base interactions energy: -145.601
where: short stacking energy: -77.903
Base-Backbone interact. energy: -0.038
local terms energy: -79.498857
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -17.313
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -23.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -175.271204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.271204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.271204 (E_RNA)
where:
Base-Base interactions energy: -109.501
where: short stacking energy: -55.908
Base-Backbone interact. energy: -0.137
local terms energy: -65.633608
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -10.489
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -15.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -180.226476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.226476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.226476 (E_RNA)
where:
Base-Base interactions energy: -108.205
where: short stacking energy: -64.054
Base-Backbone interact. energy: -0.073
local terms energy: -71.948191
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -12.472
tors. eta vs tors. theta energy: -18.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -100.966419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.966419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.966419 (E_RNA)
where:
Base-Base interactions energy: -45.630
where: short stacking energy: -44.101
Base-Backbone interact. energy: -0.094
local terms energy: -55.241755
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -10.058
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -4.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -160.611046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.611046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.611046 (E_RNA)
where:
Base-Base interactions energy: -92.931
where: short stacking energy: -47.787
Base-Backbone interact. energy: -0.150
local terms energy: -67.529680
where:
bonds (distance) C4'-P energy: -13.314
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -12.330
flat angles P-C4'-P energy: -8.038
tors. eta vs tors. theta energy: -15.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -87.801064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.801064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.801064 (E_RNA)
where:
Base-Base interactions energy: -31.772
where: short stacking energy: -28.665
Base-Backbone interact. energy: -0.251
local terms energy: -55.777406
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -4.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -79.064221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.064221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.064221 (E_RNA)
where:
Base-Base interactions energy: -33.737
where: short stacking energy: -24.863
Base-Backbone interact. energy: -0.010
local terms energy: -45.316928
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -9.772
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: 2.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -93.645095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.645095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.645095 (E_RNA)
where:
Base-Base interactions energy: -35.074
where: short stacking energy: -35.074
Base-Backbone interact. energy: 0.018
local terms energy: -58.589034
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -5.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -228.686252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.686252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.686252 (E_RNA)
where:
Base-Base interactions energy: -155.456
where: short stacking energy: -66.022
Base-Backbone interact. energy: -0.184
local terms energy: -73.046640
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: -17.459
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: 2, replica: 10
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -227.462693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.462693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.462693 (E_RNA)
where:
Base-Base interactions energy: -146.661
where: short stacking energy: -72.548
Base-Backbone interact. energy: -0.020
local terms energy: -80.781597
where:
bonds (distance) C4'-P energy: -11.932
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -18.602
flat angles P-C4'-P energy: -8.849
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: 3, replica: 4
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -200.328163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.328163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.328163 (E_RNA)
where:
Base-Base interactions energy: -140.169
where: short stacking energy: -71.104
Base-Backbone interact. energy: -0.067
local terms energy: -60.092750
where:
bonds (distance) C4'-P energy: -9.717
bonds (distance) P-C4' energy: -13.559
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -3.484
tors. eta vs tors. theta energy: -17.275
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: 3
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -167.718294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.718294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.718294 (E_RNA)
where:
Base-Base interactions energy: -98.926
where: short stacking energy: -54.103
Base-Backbone interact. energy: -0.150
local terms energy: -68.642275
where:
bonds (distance) C4'-P energy: -17.622
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -14.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -178.009569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.009569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.009569 (E_RNA)
where:
Base-Base interactions energy: -122.121
where: short stacking energy: -45.040
Base-Backbone interact. energy: 1.055
local terms energy: -56.943271
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -13.659
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -5.820
tors. eta vs tors. theta energy: -6.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -151.392284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.392284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.392284 (E_RNA)
where:
Base-Base interactions energy: -95.700
where: short stacking energy: -51.528
Base-Backbone interact. energy: -0.103
local terms energy: -55.588799
where:
bonds (distance) C4'-P energy: -10.946
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -12.100
flat angles P-C4'-P energy: -5.730
tors. eta vs tors. theta energy: -11.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -102.926698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.926698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.926698 (E_RNA)
where:
Base-Base interactions energy: -44.716
where: short stacking energy: -42.853
Base-Backbone interact. energy: -0.009
local terms energy: -58.201431
where:
bonds (distance) C4'-P energy: -9.390
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -13.324
flat angles P-C4'-P energy: -5.391
tors. eta vs tors. theta energy: -13.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -92.108125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.108125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.108125 (E_RNA)
where:
Base-Base interactions energy: -34.362
where: short stacking energy: -31.461
Base-Backbone interact. energy: -0.294
local terms energy: -57.452031
where:
bonds (distance) C4'-P energy: -12.467
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -10.506
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: 9, replica: 8
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -92.822404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.822404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.822404 (E_RNA)
where:
Base-Base interactions energy: -37.002
where: short stacking energy: -24.980
Base-Backbone interact. energy: -1.581
local terms energy: -54.240228
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -14.083
flat angles C4'-P-C4' energy: -13.316
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -3.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -69.243950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.243950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.243950 (E_RNA)
where:
Base-Base interactions energy: -29.253
where: short stacking energy: -23.813
Base-Backbone interact. energy: -0.313
local terms energy: -39.677430
where:
bonds (distance) C4'-P energy: -12.378
bonds (distance) P-C4' energy: -11.719
flat angles C4'-P-C4' energy: -9.808
flat angles P-C4'-P energy: -7.747
tors. eta vs tors. theta energy: 1.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -235.336417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.336417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.336417 (E_RNA)
where:
Base-Base interactions energy: -154.882
where: short stacking energy: -73.339
Base-Backbone interact. energy: -0.116
local terms energy: -80.338727
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -17.227
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -20.657
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: 10
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -227.776592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.776592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.776592 (E_RNA)
where:
Base-Base interactions energy: -151.746
where: short stacking energy: -65.381
Base-Backbone interact. energy: -0.004
local terms energy: -76.026816
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -13.346
tors. eta vs tors. theta energy: -20.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -190.687716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.687716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.687716 (E_RNA)
where:
Base-Base interactions energy: -118.223
where: short stacking energy: -59.250
Base-Backbone interact. energy: -0.039
local terms energy: -72.425448
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -15.886
flat angles P-C4'-P energy: -9.420
tors. eta vs tors. theta energy: -15.617
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: 3
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -153.328675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.328675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.328675 (E_RNA)
where:
Base-Base interactions energy: -86.122
where: short stacking energy: -40.774
Base-Backbone interact. energy: -0.059
local terms energy: -67.147803
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -15.570
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: -13.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -166.613842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.613842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.613842 (E_RNA)
where:
Base-Base interactions energy: -97.181
where: short stacking energy: -53.888
Base-Backbone interact. energy: -2.557
local terms energy: -66.875840
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -10.971
flat angles P-C4'-P energy: -12.628
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: 6, replica: 1
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -162.575932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.575932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.575932 (E_RNA)
where:
Base-Base interactions energy: -100.133
where: short stacking energy: -51.841
Base-Backbone interact. energy: 0.227
local terms energy: -62.670371
where:
bonds (distance) C4'-P energy: -12.933
bonds (distance) P-C4' energy: -12.982
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -8.220
tors. eta vs tors. theta energy: -12.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -82.565066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.565066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.565066 (E_RNA)
where:
Base-Base interactions energy: -35.160
where: short stacking energy: -25.864
Base-Backbone interact. energy: -1.858
local terms energy: -45.546654
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -8.866
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -6.265
tors. eta vs tors. theta energy: -2.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -80.914087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.914087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.914087 (E_RNA)
where:
Base-Base interactions energy: -23.739
where: short stacking energy: -20.741
Base-Backbone interact. energy: -0.281
local terms energy: -56.893556
where:
bonds (distance) C4'-P energy: -16.896
bonds (distance) P-C4' energy: -13.153
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -11.941
tors. eta vs tors. theta energy: -2.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -83.403067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.403067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.403067 (E_RNA)
where:
Base-Base interactions energy: -32.057
where: short stacking energy: -28.452
Base-Backbone interact. energy: -0.000
local terms energy: -51.346129
where:
bonds (distance) C4'-P energy: -9.824
bonds (distance) P-C4' energy: -10.736
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -5.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -82.749825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.749825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.749825 (E_RNA)
where:
Base-Base interactions energy: -35.458
where: short stacking energy: -30.485
Base-Backbone interact. energy: -0.018
local terms energy: -47.273773
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -9.101
flat angles P-C4'-P energy: -6.630
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: 1, replica: 2
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -238.295234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.295234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.295234 (E_RNA)
where:
Base-Base interactions energy: -159.175
where: short stacking energy: -75.881
Base-Backbone interact. energy: -0.350
local terms energy: -78.770207
where:
bonds (distance) C4'-P energy: -11.738
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -12.594
tors. eta vs tors. theta energy: -21.667
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: 10
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -229.068837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.068837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.068837 (E_RNA)
where:
Base-Base interactions energy: -147.037
where: short stacking energy: -77.757
Base-Backbone interact. energy: 0.159
local terms energy: -82.190365
where:
bonds (distance) C4'-P energy: -16.387
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -24.256
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: 4
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -178.496524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.496524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.496524 (E_RNA)
where:
Base-Base interactions energy: -114.115
where: short stacking energy: -47.902
Base-Backbone interact. energy: -0.153
local terms energy: -64.227915
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: -12.850
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: 9
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -163.236880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.236880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.236880 (E_RNA)
where:
Base-Base interactions energy: -105.055
where: short stacking energy: -53.630
Base-Backbone interact. energy: -0.203
local terms energy: -57.979052
where:
bonds (distance) C4'-P energy: -11.032
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -6.266
tors. eta vs tors. theta energy: -11.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -162.179007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.179007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.179007 (E_RNA)
where:
Base-Base interactions energy: -106.124
where: short stacking energy: -44.542
Base-Backbone interact. energy: -0.146
local terms energy: -55.909143
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -10.640
flat angles C4'-P-C4' energy: -11.812
flat angles P-C4'-P energy: -6.884
tors. eta vs tors. theta energy: -9.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -188.844421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.844421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.844421 (E_RNA)
where:
Base-Base interactions energy: -132.819
where: short stacking energy: -56.527
Base-Backbone interact. energy: -0.171
local terms energy: -55.854582
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -9.946
flat angles P-C4'-P energy: -5.018
tors. eta vs tors. theta energy: -10.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -87.886812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.886812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.886812 (E_RNA)
where:
Base-Base interactions energy: -32.960
where: short stacking energy: -32.949
Base-Backbone interact. energy: -0.539
local terms energy: -54.387176
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -14.004
flat angles P-C4'-P energy: -4.063
tors. eta vs tors. theta energy: -4.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -84.264176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.264176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.264176 (E_RNA)
where:
Base-Base interactions energy: -28.883
where: short stacking energy: -28.403
Base-Backbone interact. energy: -0.328
local terms energy: -55.052297
where:
bonds (distance) C4'-P energy: -9.536
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -10.319
tors. eta vs tors. theta energy: -4.838
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: 7
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -80.010773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.010773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.010773 (E_RNA)
where:
Base-Base interactions energy: -24.475
where: short stacking energy: -24.475
Base-Backbone interact. energy: 3.096
local terms energy: -58.632439
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -4.017
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: 8
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -86.020873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.020873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.020873 (E_RNA)
where:
Base-Base interactions energy: -32.073
where: short stacking energy: -31.542
Base-Backbone interact. energy: -0.027
local terms energy: -53.920734
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -13.711
flat angles P-C4'-P energy: -6.418
tors. eta vs tors. theta energy: -3.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -235.433459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.433459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.433459 (E_RNA)
where:
Base-Base interactions energy: -152.158
where: short stacking energy: -71.129
Base-Backbone interact. energy: -0.282
local terms energy: -82.993409
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -23.965
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: 10
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -226.713395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.713395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.713395 (E_RNA)
where:
Base-Base interactions energy: -152.857
where: short stacking energy: -75.407
Base-Backbone interact. energy: -0.016
local terms energy: -73.840271
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -19.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -185.875199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.875199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.875199 (E_RNA)
where:
Base-Base interactions energy: -117.457
where: short stacking energy: -58.372
Base-Backbone interact. energy: -0.574
local terms energy: -67.843734
where:
bonds (distance) C4'-P energy: -10.982
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -15.483
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: 9
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -161.488388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.488388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.488388 (E_RNA)
where:
Base-Base interactions energy: -93.865
where: short stacking energy: -50.814
Base-Backbone interact. energy: -0.012
local terms energy: -67.611150
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -14.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -187.138545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.138545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.138545 (E_RNA)
where:
Base-Base interactions energy: -137.875
where: short stacking energy: -50.629
Base-Backbone interact. energy: -0.211
local terms energy: -49.053264
where:
bonds (distance) C4'-P energy: -8.058
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -10.505
flat angles P-C4'-P energy: -6.284
tors. eta vs tors. theta energy: -7.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -163.302779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.302779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.302779 (E_RNA)
where:
Base-Base interactions energy: -107.528
where: short stacking energy: -40.040
Base-Backbone interact. energy: -0.291
local terms energy: -55.483397
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -7.408
tors. eta vs tors. theta energy: -6.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -104.309292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.309292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.309292 (E_RNA)
where:
Base-Base interactions energy: -42.687
where: short stacking energy: -28.821
Base-Backbone interact. energy: -0.206
local terms energy: -61.415980
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: -6.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -82.569935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.569935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.569935 (E_RNA)
where:
Base-Base interactions energy: -41.302
where: short stacking energy: -37.187
Base-Backbone interact. energy: -0.501
local terms energy: -40.766739
where:
bonds (distance) C4'-P energy: -9.867
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -12.056
flat angles P-C4'-P energy: -3.877
tors. eta vs tors. theta energy: -2.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -81.887715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.887715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.887715 (E_RNA)
where:
Base-Base interactions energy: -32.788
where: short stacking energy: -20.859
Base-Backbone interact. energy: 0.003
local terms energy: -49.102992
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -13.689
flat angles P-C4'-P energy: -4.885
tors. eta vs tors. theta energy: -1.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -76.693965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.693965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.693965 (E_RNA)
where:
Base-Base interactions energy: -31.631
where: short stacking energy: -31.631
Base-Backbone interact. energy: 1.697
local terms energy: -46.759964
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -3.897
tors. eta vs tors. theta energy: -0.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -234.749112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.749112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.749112 (E_RNA)
where:
Base-Base interactions energy: -154.382
where: short stacking energy: -73.587
Base-Backbone interact. energy: -0.015
local terms energy: -80.352028
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -20.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -223.333950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.333950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.333950 (E_RNA)
where:
Base-Base interactions energy: -150.574
where: short stacking energy: -72.547
Base-Backbone interact. energy: -0.008
local terms energy: -72.751225
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -16.999
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -18.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -198.298452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.298452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.298452 (E_RNA)
where:
Base-Base interactions energy: -122.034
where: short stacking energy: -63.243
Base-Backbone interact. energy: -0.971
local terms energy: -75.293401
where:
bonds (distance) C4'-P energy: -12.052
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -12.075
tors. eta vs tors. theta energy: -19.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -213.264953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.264953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.264953 (E_RNA)
where:
Base-Base interactions energy: -140.476
where: short stacking energy: -50.717
Base-Backbone interact. energy: 0.063
local terms energy: -72.851574
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -12.386
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: 5, replica: 9
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -175.203737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.203737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.203737 (E_RNA)
where:
Base-Base interactions energy: -117.220
where: short stacking energy: -50.607
Base-Backbone interact. energy: -0.044
local terms energy: -57.940179
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -4.298
tors. eta vs tors. theta energy: -11.603
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: 3
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -163.006754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.006754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.006754 (E_RNA)
where:
Base-Base interactions energy: -110.058
where: short stacking energy: -40.124
Base-Backbone interact. energy: -0.368
local terms energy: -52.580902
where:
bonds (distance) C4'-P energy: -8.799
bonds (distance) P-C4' energy: -11.968
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -7.251
tors. eta vs tors. theta energy: -8.252
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: 6
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -96.793967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.793967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.793967 (E_RNA)
where:
Base-Base interactions energy: -43.962
where: short stacking energy: -37.636
Base-Backbone interact. energy: 0.142
local terms energy: -52.974290
where:
bonds (distance) C4'-P energy: -7.777
bonds (distance) P-C4' energy: -14.121
flat angles C4'-P-C4' energy: -12.433
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -8.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -93.318529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.318529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.318529 (E_RNA)
where:
Base-Base interactions energy: -36.531
where: short stacking energy: -34.613
Base-Backbone interact. energy: -0.067
local terms energy: -56.720203
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -10.575
flat angles C4'-P-C4' energy: -12.629
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -10.540
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: 5
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -89.824295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.824295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.824295 (E_RNA)
where:
Base-Base interactions energy: -44.177
where: short stacking energy: -31.807
Base-Backbone interact. energy: -0.255
local terms energy: -45.392312
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -10.114
flat angles C4'-P-C4' energy: -6.569
flat angles P-C4'-P energy: -7.816
tors. eta vs tors. theta energy: -5.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -78.839506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.839506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.839506 (E_RNA)
where:
Base-Base interactions energy: -25.087
where: short stacking energy: -22.945
Base-Backbone interact. energy: -0.088
local terms energy: -53.665031
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -9.074
tors. eta vs tors. theta energy: -0.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -231.441358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.441358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.441358 (E_RNA)
where:
Base-Base interactions energy: -154.983
where: short stacking energy: -76.326
Base-Backbone interact. energy: -0.017
local terms energy: -76.441115
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -9.276
tors. eta vs tors. theta energy: -19.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -226.693125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.693125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.693125 (E_RNA)
where:
Base-Base interactions energy: -146.497
where: short stacking energy: -77.169
Base-Backbone interact. energy: -1.197
local terms energy: -78.999361
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -14.007
flat angles C4'-P-C4' energy: -16.211
flat angles P-C4'-P energy: -12.417
tors. eta vs tors. theta energy: -20.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -215.405061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.405061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.405061 (E_RNA)
where:
Base-Base interactions energy: -156.596
where: short stacking energy: -57.581
Base-Backbone interact. energy: -0.170
local terms energy: -58.638808
where:
bonds (distance) C4'-P energy: -9.514
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -10.128
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -13.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -187.208963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.208963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.208963 (E_RNA)
where:
Base-Base interactions energy: -117.033
where: short stacking energy: -50.812
Base-Backbone interact. energy: -0.423
local terms energy: -69.752705
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -16.181
flat angles P-C4'-P energy: -15.396
tors. eta vs tors. theta energy: -9.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -159.031190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.031190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.031190 (E_RNA)
where:
Base-Base interactions energy: -86.667
where: short stacking energy: -47.744
Base-Backbone interact. energy: -0.228
local terms energy: -72.136189
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -11.692
tors. eta vs tors. theta energy: -12.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -122.477969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.477969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.477969 (E_RNA)
where:
Base-Base interactions energy: -76.815
where: short stacking energy: -41.450
Base-Backbone interact. energy: 0.730
local terms energy: -46.393227
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -12.216
flat angles C4'-P-C4' energy: -10.236
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: -4.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -99.430171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.430171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.430171 (E_RNA)
where:
Base-Base interactions energy: -42.181
where: short stacking energy: -32.666
Base-Backbone interact. energy: -0.097
local terms energy: -57.152266
where:
bonds (distance) C4'-P energy: -17.042
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -4.289
tors. eta vs tors. theta energy: -5.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -83.125943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.125943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.125943 (E_RNA)
where:
Base-Base interactions energy: -25.713
where: short stacking energy: -24.446
Base-Backbone interact. energy: -0.270
local terms energy: -57.143180
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -6.832
tors. eta vs tors. theta energy: -4.235
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: 7
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -76.239044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.239044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.239044 (E_RNA)
where:
Base-Base interactions energy: -27.213
where: short stacking energy: -23.441
Base-Backbone interact. energy: -0.415
local terms energy: -48.610556
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: 2.672
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: 5
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -80.912134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.912134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.912134 (E_RNA)
where:
Base-Base interactions energy: -35.217
where: short stacking energy: -16.501
Base-Backbone interact. energy: -0.837
local terms energy: -44.857561
where:
bonds (distance) C4'-P energy: -9.558
bonds (distance) P-C4' energy: -13.558
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: 2.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -231.724868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.724868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.724868 (E_RNA)
where:
Base-Base interactions energy: -150.324
where: short stacking energy: -75.030
Base-Backbone interact. energy: -0.011
local terms energy: -81.390303
where:
bonds (distance) C4'-P energy: -18.242
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -17.825
flat angles P-C4'-P energy: -8.166
tors. eta vs tors. theta energy: -21.180
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: 1
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -216.821113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.821113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.821113 (E_RNA)
where:
Base-Base interactions energy: -153.356
where: short stacking energy: -57.264
Base-Backbone interact. energy: -0.137
local terms energy: -63.327899
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -14.617
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: 2
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -216.603310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.603310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.603310 (E_RNA)
where:
Base-Base interactions energy: -137.871
where: short stacking energy: -67.543
Base-Backbone interact. energy: -0.013
local terms energy: -78.718878
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -18.238
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -19.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -168.165794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.165794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.165794 (E_RNA)
where:
Base-Base interactions energy: -103.095
where: short stacking energy: -53.378
Base-Backbone interact. energy: -0.561
local terms energy: -64.509391
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -7.243
tors. eta vs tors. theta energy: -12.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -178.366693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.366693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.366693 (E_RNA)
where:
Base-Base interactions energy: -110.823
where: short stacking energy: -55.967
Base-Backbone interact. energy: 3.544
local terms energy: -71.087770
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -16.197
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -11.088
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: 6, replica: 6
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -111.476509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.476509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.476509 (E_RNA)
where:
Base-Base interactions energy: -43.355
where: short stacking energy: -43.355
Base-Backbone interact. energy: -0.134
local terms energy: -67.987417
where:
bonds (distance) C4'-P energy: -12.466
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -14.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -126.334656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.334656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.334656 (E_RNA)
where:
Base-Base interactions energy: -78.611
where: short stacking energy: -32.054
Base-Backbone interact. energy: -0.192
local terms energy: -47.531723
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -13.017
flat angles C4'-P-C4' energy: -11.679
flat angles P-C4'-P energy: -6.039
tors. eta vs tors. theta energy: -4.558
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: 8, replica: 7
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -86.376115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.376115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.376115 (E_RNA)
where:
Base-Base interactions energy: -41.076
where: short stacking energy: -37.579
Base-Backbone interact. energy: -0.160
local terms energy: -45.139618
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -11.254
flat angles C4'-P-C4' energy: -10.138
flat angles P-C4'-P energy: -3.760
tors. eta vs tors. theta energy: -4.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -80.904890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.904890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.904890 (E_RNA)
where:
Base-Base interactions energy: -32.016
where: short stacking energy: -31.613
Base-Backbone interact. energy: 0.261
local terms energy: -49.149963
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -12.813
flat angles C4'-P-C4' energy: -9.342
flat angles P-C4'-P energy: -7.432
tors. eta vs tors. theta energy: -6.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -69.131328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.131328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.131328 (E_RNA)
where:
Base-Base interactions energy: -18.206
where: short stacking energy: -18.220
Base-Backbone interact. energy: 0.069
local terms energy: -50.994133
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -12.306
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: 1.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -232.665765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.665765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.665765 (E_RNA)
where:
Base-Base interactions energy: -156.692
where: short stacking energy: -77.068
Base-Backbone interact. energy: -0.015
local terms energy: -75.958796
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -13.124
tors. eta vs tors. theta energy: -19.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -214.595666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.595666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.595666 (E_RNA)
where:
Base-Base interactions energy: -137.819
where: short stacking energy: -60.440
Base-Backbone interact. energy: 0.983
local terms energy: -77.759986
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -13.768
tors. eta vs tors. theta energy: -16.129
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: 3, replica: 2
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -224.413857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.413857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.413857 (E_RNA)
where:
Base-Base interactions energy: -151.597
where: short stacking energy: -73.411
Base-Backbone interact. energy: -0.002
local terms energy: -72.814501
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -15.595
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -7.428
tors. eta vs tors. theta energy: -22.404
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: 9
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -172.407747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.407747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.407747 (E_RNA)
where:
Base-Base interactions energy: -106.181
where: short stacking energy: -44.736
Base-Backbone interact. energy: -0.259
local terms energy: -65.967011
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -12.598
tors. eta vs tors. theta energy: -7.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -94.491296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.491296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.491296 (E_RNA)
where:
Base-Base interactions energy: -33.488
where: short stacking energy: -31.797
Base-Backbone interact. energy: -0.108
local terms energy: -60.894765
where:
bonds (distance) C4'-P energy: -14.536
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -7.657
tors. eta vs tors. theta energy: -8.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -200.967931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.967931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.967931 (E_RNA)
where:
Base-Base interactions energy: -128.603
where: short stacking energy: -61.201
Base-Backbone interact. energy: -0.035
local terms energy: -72.329577
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -7.573
tors. eta vs tors. theta energy: -17.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -82.474996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.474996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.474996 (E_RNA)
where:
Base-Base interactions energy: -32.620
where: short stacking energy: -32.620
Base-Backbone interact. energy: -0.240
local terms energy: -49.614853
where:
bonds (distance) C4'-P energy: -16.889
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -9.624
flat angles P-C4'-P energy: -3.325
tors. eta vs tors. theta energy: -2.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -128.679118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.679118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.679118 (E_RNA)
where:
Base-Base interactions energy: -76.316
where: short stacking energy: -32.994
Base-Backbone interact. energy: -0.676
local terms energy: -51.686920
where:
bonds (distance) C4'-P energy: -10.057
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -10.665
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -5.928
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: 5
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -87.036348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.036348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.036348 (E_RNA)
where:
Base-Base interactions energy: -35.922
where: short stacking energy: -33.640
Base-Backbone interact. energy: -0.121
local terms energy: -50.993103
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -12.523
flat angles C4'-P-C4' energy: -10.230
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -3.665
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: 8
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -79.946968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.946968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.946968 (E_RNA)
where:
Base-Base interactions energy: -34.793
where: short stacking energy: -28.226
Base-Backbone interact. energy: -0.143
local terms energy: -45.010609
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -8.390
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -3.765
tors. eta vs tors. theta energy: -5.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -237.086107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.086107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.086107 (E_RNA)
where:
Base-Base interactions energy: -154.481
where: short stacking energy: -77.151
Base-Backbone interact. energy: -0.003
local terms energy: -82.601470
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -17.840
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -21.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -218.777772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.777772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.777772 (E_RNA)
where:
Base-Base interactions energy: -159.001
where: short stacking energy: -63.411
Base-Backbone interact. energy: -0.256
local terms energy: -59.521039
where:
bonds (distance) C4'-P energy: -11.559
bonds (distance) P-C4' energy: -12.203
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -4.622
tors. eta vs tors. theta energy: -15.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -217.014386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.014386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.014386 (E_RNA)
where:
Base-Base interactions energy: -141.841
where: short stacking energy: -69.164
Base-Backbone interact. energy: -0.105
local terms energy: -75.068367
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -21.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -180.749124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.749124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.749124 (E_RNA)
where:
Base-Base interactions energy: -115.332
where: short stacking energy: -63.169
Base-Backbone interact. energy: -0.006
local terms energy: -65.411311
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -17.378
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -13.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -111.822478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.822478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.822478 (E_RNA)
where:
Base-Base interactions energy: -50.545
where: short stacking energy: -50.545
Base-Backbone interact. energy: -0.149
local terms energy: -61.129246
where:
bonds (distance) C4'-P energy: -10.390
bonds (distance) P-C4' energy: -13.126
flat angles C4'-P-C4' energy: -12.009
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -14.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -176.198658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.198658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.198658 (E_RNA)
where:
Base-Base interactions energy: -110.984
where: short stacking energy: -53.678
Base-Backbone interact. energy: 0.611
local terms energy: -65.825772
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: -12.921
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: 7
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -99.570098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.570098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.570098 (E_RNA)
where:
Base-Base interactions energy: -44.776
where: short stacking energy: -44.776
Base-Backbone interact. energy: -0.014
local terms energy: -54.780750
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -11.005
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -3.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -76.337494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.337494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.337494 (E_RNA)
where:
Base-Base interactions energy: -23.238
where: short stacking energy: -24.138
Base-Backbone interact. energy: -0.118
local terms energy: -52.981818
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -10.497
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -0.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -151.327971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.327971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.327971 (E_RNA)
where:
Base-Base interactions energy: -98.390
where: short stacking energy: -40.929
Base-Backbone interact. energy: 0.625
local terms energy: -53.562781
where:
bonds (distance) C4'-P energy: -7.332
bonds (distance) P-C4' energy: -16.049
flat angles C4'-P-C4' energy: -8.248
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -9.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -77.133317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.133317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.133317 (E_RNA)
where:
Base-Base interactions energy: -25.892
where: short stacking energy: -24.762
Base-Backbone interact. energy: -0.850
local terms energy: -50.391273
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -18.657
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -4.959
tors. eta vs tors. theta energy: -1.482
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: 1, replica: 10
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -230.948407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.948407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.948407 (E_RNA)
where:
Base-Base interactions energy: -154.944
where: short stacking energy: -76.836
Base-Backbone interact. energy: -0.000
local terms energy: -76.004294
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -12.686
tors. eta vs tors. theta energy: -19.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -216.405023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.405023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.405023 (E_RNA)
where:
Base-Base interactions energy: -146.598
where: short stacking energy: -67.022
Base-Backbone interact. energy: -0.327
local terms energy: -69.480301
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -17.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -224.484282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.484282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.484282 (E_RNA)
where:
Base-Base interactions energy: -150.093
where: short stacking energy: -69.987
Base-Backbone interact. energy: -0.482
local terms energy: -73.909833
where:
bonds (distance) C4'-P energy: -10.074
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -22.491
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: 4, replica: 9
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -192.628897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.628897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.628897 (E_RNA)
where:
Base-Base interactions energy: -124.900
where: short stacking energy: -56.602
Base-Backbone interact. energy: -1.296
local terms energy: -66.433065
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -5.384
tors. eta vs tors. theta energy: -19.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -156.828256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.828256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.828256 (E_RNA)
where:
Base-Base interactions energy: -100.383
where: short stacking energy: -40.556
Base-Backbone interact. energy: -0.212
local terms energy: -56.233309
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -9.008
flat angles P-C4'-P energy: -10.025
tors. eta vs tors. theta energy: -10.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -97.276396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.276396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.276396 (E_RNA)
where:
Base-Base interactions energy: -41.085
where: short stacking energy: -41.085
Base-Backbone interact. energy: 0.091
local terms energy: -56.283025
where:
bonds (distance) C4'-P energy: -11.644
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -11.204
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -6.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -86.191543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.191543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.191543 (E_RNA)
where:
Base-Base interactions energy: -31.848
where: short stacking energy: -31.848
Base-Backbone interact. energy: -0.015
local terms energy: -54.328526
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -10.946
flat angles P-C4'-P energy: -9.125
tors. eta vs tors. theta energy: -7.251
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: 7
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -93.302148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.302148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.302148 (E_RNA)
where:
Base-Base interactions energy: -38.756
where: short stacking energy: -38.756
Base-Backbone interact. energy: -0.004
local terms energy: -54.541917
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -6.146
tors. eta vs tors. theta energy: -4.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -89.314857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.314857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.314857 (E_RNA)
where:
Base-Base interactions energy: -35.323
where: short stacking energy: -15.268
Base-Backbone interact. energy: -0.546
local terms energy: -53.445733
where:
bonds (distance) C4'-P energy: -8.312
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -13.371
flat angles P-C4'-P energy: -9.330
tors. eta vs tors. theta energy: -6.295
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: 10, replica: 3
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -75.014570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.014570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.014570 (E_RNA)
where:
Base-Base interactions energy: -22.098
where: short stacking energy: -22.297
Base-Backbone interact. energy: -0.217
local terms energy: -52.699553
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -9.193
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -8.914
tors. eta vs tors. theta energy: -6.546
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: 1, replica: 10
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -234.537713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.537713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.537713 (E_RNA)
where:
Base-Base interactions energy: -153.818
where: short stacking energy: -71.032
Base-Backbone interact. energy: -0.007
local terms energy: -80.713196
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -18.458
flat angles P-C4'-P energy: -13.680
tors. eta vs tors. theta energy: -15.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -227.207195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.207195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.207195 (E_RNA)
where:
Base-Base interactions energy: -150.778
where: short stacking energy: -73.492
Base-Backbone interact. energy: -0.398
local terms energy: -76.031023
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -20.793
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: 33
Temperature: 1.000000
Total energy: -214.547391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.547391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.547391 (E_RNA)
where:
Base-Base interactions energy: -151.492
where: short stacking energy: -58.868
Base-Backbone interact. energy: -0.472
local terms energy: -62.582943
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -11.211
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -16.142
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: 4
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -186.988747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.988747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.988747 (E_RNA)
where:
Base-Base interactions energy: -116.493
where: short stacking energy: -55.412
Base-Backbone interact. energy: -0.011
local terms energy: -70.484402
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -15.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -178.502904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.502904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.502904 (E_RNA)
where:
Base-Base interactions energy: -115.847
where: short stacking energy: -55.258
Base-Backbone interact. energy: -0.028
local terms energy: -62.628090
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -7.681
tors. eta vs tors. theta energy: -11.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -98.814477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.814477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.814477 (E_RNA)
where:
Base-Base interactions energy: -46.044
where: short stacking energy: -44.506
Base-Backbone interact. energy: -0.028
local terms energy: -52.742756
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -10.984
flat angles P-C4'-P energy: -7.505
tors. eta vs tors. theta energy: -6.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -98.006904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.006904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.006904 (E_RNA)
where:
Base-Base interactions energy: -42.672
where: short stacking energy: -42.672
Base-Backbone interact. energy: -0.061
local terms energy: -55.274744
where:
bonds (distance) C4'-P energy: -9.914
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -12.003
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -8.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -88.971264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.971264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.971264 (E_RNA)
where:
Base-Base interactions energy: -34.687
where: short stacking energy: -34.687
Base-Backbone interact. energy: -0.343
local terms energy: -53.941497
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -2.974
tors. eta vs tors. theta energy: -1.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -79.409421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.409421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.409421 (E_RNA)
where:
Base-Base interactions energy: -35.120
where: short stacking energy: -22.115
Base-Backbone interact. energy: -1.137
local terms energy: -43.152372
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -9.806
flat angles C4'-P-C4' energy: -10.549
flat angles P-C4'-P energy: -7.293
tors. eta vs tors. theta energy: -1.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -87.541605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.541605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.541605 (E_RNA)
where:
Base-Base interactions energy: -43.966
where: short stacking energy: -31.474
Base-Backbone interact. energy: -0.279
local terms energy: -43.296311
where:
bonds (distance) C4'-P energy: -7.624
bonds (distance) P-C4' energy: -9.237
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -3.179
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: 2
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -226.328591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.328591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.328591 (E_RNA)
where:
Base-Base interactions energy: -150.202
where: short stacking energy: -71.405
Base-Backbone interact. energy: 1.613
local terms energy: -77.739281
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -11.084
tors. eta vs tors. theta energy: -20.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -231.904398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.904398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.904398 (E_RNA)
where:
Base-Base interactions energy: -153.200
where: short stacking energy: -74.120
Base-Backbone interact. energy: -0.607
local terms energy: -78.096517
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -11.175
tors. eta vs tors. theta energy: -21.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -216.481399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.481399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.481399 (E_RNA)
where:
Base-Base interactions energy: -146.752
where: short stacking energy: -64.948
Base-Backbone interact. energy: -0.313
local terms energy: -69.416063
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -11.164
tors. eta vs tors. theta energy: -16.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -188.625522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.625522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.625522 (E_RNA)
where:
Base-Base interactions energy: -112.165
where: short stacking energy: -57.623
Base-Backbone interact. energy: -0.012
local terms energy: -76.449162
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -15.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -155.200941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.200941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.200941 (E_RNA)
where:
Base-Base interactions energy: -93.560
where: short stacking energy: -51.063
Base-Backbone interact. energy: -0.026
local terms energy: -61.614572
where:
bonds (distance) C4'-P energy: -11.585
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -16.613
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -7.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -104.154120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.154120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.154120 (E_RNA)
where:
Base-Base interactions energy: -51.676
where: short stacking energy: -29.500
Base-Backbone interact. energy: -1.439
local terms energy: -51.038943
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -12.921
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -6.017
tors. eta vs tors. theta energy: -2.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -102.059965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.059965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.059965 (E_RNA)
where:
Base-Base interactions energy: -39.623
where: short stacking energy: -38.620
Base-Backbone interact. energy: -0.001
local terms energy: -62.436498
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -13.632
flat angles C4'-P-C4' energy: -8.334
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -14.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -100.663438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.663438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.663438 (E_RNA)
where:
Base-Base interactions energy: -51.184
where: short stacking energy: -23.465
Base-Backbone interact. energy: 0.032
local terms energy: -49.511129
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -5.040
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: 9, replica: 3
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -82.482448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.482448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.482448 (E_RNA)
where:
Base-Base interactions energy: -30.792
where: short stacking energy: -22.709
Base-Backbone interact. energy: 0.117
local terms energy: -51.807361
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -10.025
flat angles P-C4'-P energy: -11.943
tors. eta vs tors. theta energy: -1.334
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: 8
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -76.820686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.820686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.820686 (E_RNA)
where:
Base-Base interactions energy: -28.075
where: short stacking energy: -28.075
Base-Backbone interact. energy: -0.003
local terms energy: -48.742061
where:
bonds (distance) C4'-P energy: -11.942
bonds (distance) P-C4' energy: -12.411
flat angles C4'-P-C4' energy: -9.478
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -4.140
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: 1, replica: 2
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -230.926503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.926503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.926503 (E_RNA)
where:
Base-Base interactions energy: -146.967
where: short stacking energy: -70.098
Base-Backbone interact. energy: -0.029
local terms energy: -83.930767
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -17.324
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: -21.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -213.800227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.800227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.800227 (E_RNA)
where:
Base-Base interactions energy: -140.408
where: short stacking energy: -58.139
Base-Backbone interact. energy: -1.096
local terms energy: -72.296031
where:
bonds (distance) C4'-P energy: -15.285
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -15.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -226.664422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.664422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.664422 (E_RNA)
where:
Base-Base interactions energy: -152.944
where: short stacking energy: -78.385
Base-Backbone interact. energy: -0.001
local terms energy: -73.719240
where:
bonds (distance) C4'-P energy: -13.811
bonds (distance) P-C4' energy: -10.019
flat angles C4'-P-C4' energy: -18.041
flat angles P-C4'-P energy: -13.886
tors. eta vs tors. theta energy: -17.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -172.257106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.257106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.257106 (E_RNA)
where:
Base-Base interactions energy: -112.275
where: short stacking energy: -56.250
Base-Backbone interact. energy: 0.071
local terms energy: -60.053130
where:
bonds (distance) C4'-P energy: -11.162
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: -12.884
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: 35
Temperature: 1.100000
Total energy: -173.916607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.916607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.916607 (E_RNA)
where:
Base-Base interactions energy: -113.001
where: short stacking energy: -56.574
Base-Backbone interact. energy: -0.176
local terms energy: -60.739693
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -10.017
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -11.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -104.120725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.120725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.120725 (E_RNA)
where:
Base-Base interactions energy: -49.598
where: short stacking energy: -38.134
Base-Backbone interact. energy: -0.154
local terms energy: -54.369181
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -7.237
tors. eta vs tors. theta energy: -4.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -85.220660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.220660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.220660 (E_RNA)
where:
Base-Base interactions energy: -34.282
where: short stacking energy: -31.728
Base-Backbone interact. energy: -0.278
local terms energy: -50.660467
where:
bonds (distance) C4'-P energy: -11.608
bonds (distance) P-C4' energy: -16.413
flat angles C4'-P-C4' energy: -9.416
flat angles P-C4'-P energy: -7.535
tors. eta vs tors. theta energy: -5.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -141.565917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.565917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.565917 (E_RNA)
where:
Base-Base interactions energy: -83.022
where: short stacking energy: -38.571
Base-Backbone interact. energy: -0.122
local terms energy: -58.422611
where:
bonds (distance) C4'-P energy: -10.083
bonds (distance) P-C4' energy: -13.731
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: -9.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -82.726887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.726887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.726887 (E_RNA)
where:
Base-Base interactions energy: -31.435
where: short stacking energy: -29.606
Base-Backbone interact. energy: -0.161
local terms energy: -51.130861
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -12.733
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -6.843
tors. eta vs tors. theta energy: -4.701
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: 8
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -77.062917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.062917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.062917 (E_RNA)
where:
Base-Base interactions energy: -28.353
where: short stacking energy: -25.495
Base-Backbone interact. energy: -0.776
local terms energy: -47.933751
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -11.646
flat angles P-C4'-P energy: -5.343
tors. eta vs tors. theta energy: -2.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -235.890314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.890314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.890314 (E_RNA)
where:
Base-Base interactions energy: -155.880
where: short stacking energy: -75.449
Base-Backbone interact. energy: -0.589
local terms energy: -79.420736
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -21.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -213.871927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.871927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.871927 (E_RNA)
where:
Base-Base interactions energy: -146.627
where: short stacking energy: -61.717
Base-Backbone interact. energy: -1.541
local terms energy: -65.704093
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -8.101
tors. eta vs tors. theta energy: -13.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -229.582312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.582312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.582312 (E_RNA)
where:
Base-Base interactions energy: -155.025
where: short stacking energy: -76.512
Base-Backbone interact. energy: 1.166
local terms energy: -75.723959
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -13.030
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -11.552
tors. eta vs tors. theta energy: -19.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -173.679805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.679805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.679805 (E_RNA)
where:
Base-Base interactions energy: -108.534
where: short stacking energy: -49.714
Base-Backbone interact. energy: -0.004
local terms energy: -65.141948
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -14.397
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -13.661
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: 4
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -188.560122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.560122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.560122 (E_RNA)
where:
Base-Base interactions energy: -130.344
where: short stacking energy: -59.824
Base-Backbone interact. energy: 0.235
local terms energy: -58.451782
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -11.265
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -6.119
tors. eta vs tors. theta energy: -13.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -106.503632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.503632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.503632 (E_RNA)
where:
Base-Base interactions energy: -50.162
where: short stacking energy: -38.318
Base-Backbone interact. energy: -0.250
local terms energy: -56.091613
where:
bonds (distance) C4'-P energy: -13.235
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -5.460
tors. eta vs tors. theta energy: -8.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -149.482225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.482225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.482225 (E_RNA)
where:
Base-Base interactions energy: -95.469
where: short stacking energy: -45.206
Base-Backbone interact. energy: -0.289
local terms energy: -53.723519
where:
bonds (distance) C4'-P energy: -6.179
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -15.407
flat angles P-C4'-P energy: -7.504
tors. eta vs tors. theta energy: -10.998
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: 8, replica: 5
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -87.480945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.480945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.480945 (E_RNA)
where:
Base-Base interactions energy: -30.927
where: short stacking energy: -21.438
Base-Backbone interact. energy: -0.023
local terms energy: -56.530920
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -17.413
flat angles P-C4'-P energy: -8.104
tors. eta vs tors. theta energy: -2.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -80.558553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.558553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.558553 (E_RNA)
where:
Base-Base interactions energy: -32.763
where: short stacking energy: -32.763
Base-Backbone interact. energy: 0.624
local terms energy: -48.418856
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -8.969
flat angles P-C4'-P energy: -5.747
tors. eta vs tors. theta energy: -5.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -84.338662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.338662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.338662 (E_RNA)
where:
Base-Base interactions energy: -33.421
where: short stacking energy: -31.667
Base-Backbone interact. energy: -0.059
local terms energy: -50.858730
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -10.377
flat angles P-C4'-P energy: -6.585
tors. eta vs tors. theta energy: -5.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -230.278402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.278402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.278402 (E_RNA)
where:
Base-Base interactions energy: -160.094
where: short stacking energy: -69.610
Base-Backbone interact. energy: -1.017
local terms energy: -69.167168
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -16.202
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -16.049
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: 10
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -225.972533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.972533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.972533 (E_RNA)
where:
Base-Base interactions energy: -147.763
where: short stacking energy: -67.902
Base-Backbone interact. energy: -0.124
local terms energy: -78.085117
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -16.029
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -21.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -211.341408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.341408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.341408 (E_RNA)
where:
Base-Base interactions energy: -139.421
where: short stacking energy: -63.070
Base-Backbone interact. energy: -0.359
local terms energy: -71.560667
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -15.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -184.763569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.763569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.763569 (E_RNA)
where:
Base-Base interactions energy: -113.893
where: short stacking energy: -58.131
Base-Backbone interact. energy: -0.141
local terms energy: -70.729105
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -15.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -172.527885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.527885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.527885 (E_RNA)
where:
Base-Base interactions energy: -117.581
where: short stacking energy: -52.819
Base-Backbone interact. energy: -1.528
local terms energy: -53.418399
where:
bonds (distance) C4'-P energy: -4.282
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -12.225
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -13.340
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: 6
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -164.501539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.501539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.501539 (E_RNA)
where:
Base-Base interactions energy: -106.272
where: short stacking energy: -42.558
Base-Backbone interact. energy: -0.775
local terms energy: -57.454342
where:
bonds (distance) C4'-P energy: -8.219
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: -9.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -100.051252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.051252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.051252 (E_RNA)
where:
Base-Base interactions energy: -41.660
where: short stacking energy: -32.412
Base-Backbone interact. energy: -0.238
local terms energy: -58.153426
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -7.158
tors. eta vs tors. theta energy: -7.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -84.278582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.278582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.278582 (E_RNA)
where:
Base-Base interactions energy: -33.838
where: short stacking energy: -33.778
Base-Backbone interact. energy: -0.152
local terms energy: -50.288650
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -13.017
flat angles P-C4'-P energy: -1.863
tors. eta vs tors. theta energy: -7.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -79.793190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.793190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.793190 (E_RNA)
where:
Base-Base interactions energy: -31.487
where: short stacking energy: -18.307
Base-Backbone interact. energy: 0.044
local terms energy: -48.349951
where:
bonds (distance) C4'-P energy: -12.769
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -6.428
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -3.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -72.181896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.181896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.181896 (E_RNA)
where:
Base-Base interactions energy: -20.534
where: short stacking energy: -15.010
Base-Backbone interact. energy: -0.384
local terms energy: -51.263753
where:
bonds (distance) C4'-P energy: -11.580
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -12.111
tors. eta vs tors. theta energy: 1.733
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: 2
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -231.154292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.154292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.154292 (E_RNA)
where:
Base-Base interactions energy: -148.040
where: short stacking energy: -78.053
Base-Backbone interact. energy: -2.393
local terms energy: -80.722068
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -12.981
flat angles C4'-P-C4' energy: -19.492
flat angles P-C4'-P energy: -13.502
tors. eta vs tors. theta energy: -20.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -225.674791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.674791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.674791 (E_RNA)
where:
Base-Base interactions energy: -153.448
where: short stacking energy: -73.362
Base-Backbone interact. energy: -0.005
local terms energy: -72.221858
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -13.827
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -21.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -215.404367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.404367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.404367 (E_RNA)
where:
Base-Base interactions energy: -148.950
where: short stacking energy: -64.481
Base-Backbone interact. energy: -0.591
local terms energy: -65.864066
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -10.187
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -14.174
tors. eta vs tors. theta energy: -14.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -185.938751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.938751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.938751 (E_RNA)
where:
Base-Base interactions energy: -114.398
where: short stacking energy: -57.851
Base-Backbone interact. energy: -0.473
local terms energy: -71.068432
where:
bonds (distance) C4'-P energy: -10.724
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -11.889
tors. eta vs tors. theta energy: -15.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -178.913598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.913598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.913598 (E_RNA)
where:
Base-Base interactions energy: -113.593
where: short stacking energy: -48.103
Base-Backbone interact. energy: -0.012
local terms energy: -65.309048
where:
bonds (distance) C4'-P energy: -10.928
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -7.856
tors. eta vs tors. theta energy: -15.239
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: 9
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -164.839093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.839093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.839093 (E_RNA)
where:
Base-Base interactions energy: -102.083
where: short stacking energy: -47.857
Base-Backbone interact. energy: -0.250
local terms energy: -62.505386
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -12.493
flat angles P-C4'-P energy: -7.968
tors. eta vs tors. theta energy: -14.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -91.774535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.774535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.774535 (E_RNA)
where:
Base-Base interactions energy: -48.241
where: short stacking energy: -32.376
Base-Backbone interact. energy: -0.204
local terms energy: -43.328787
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -9.429
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: 0.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -88.393886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.393886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.393886 (E_RNA)
where:
Base-Base interactions energy: -34.569
where: short stacking energy: -34.569
Base-Backbone interact. energy: -0.073
local terms energy: -53.752190
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -9.612
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -4.422
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: 9, replica: 3
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -87.119289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.119289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.119289 (E_RNA)
where:
Base-Base interactions energy: -35.817
where: short stacking energy: -20.733
Base-Backbone interact. energy: -0.171
local terms energy: -51.131981
where:
bonds (distance) C4'-P energy: -8.133
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -5.407
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: 10, replica: 8
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -72.177305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.177305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.177305 (E_RNA)
where:
Base-Base interactions energy: -23.769
where: short stacking energy: -22.449
Base-Backbone interact. energy: -0.074
local terms energy: -48.334790
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: 3.474
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: 2
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -224.450045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.450045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.450045 (E_RNA)
where:
Base-Base interactions energy: -150.881
where: short stacking energy: -72.797
Base-Backbone interact. energy: 0.007
local terms energy: -73.575172
where:
bonds (distance) C4'-P energy: -10.105
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -12.399
flat angles P-C4'-P energy: -13.505
tors. eta vs tors. theta energy: -20.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -228.500511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.500511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.500511 (E_RNA)
where:
Base-Base interactions energy: -147.740
where: short stacking energy: -70.834
Base-Backbone interact. energy: -0.585
local terms energy: -80.175857
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -21.494
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: 1
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -216.067646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.067646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.067646 (E_RNA)
where:
Base-Base interactions energy: -148.122
where: short stacking energy: -49.821
Base-Backbone interact. energy: -0.223
local terms energy: -67.723289
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -18.024
flat angles P-C4'-P energy: -6.876
tors. eta vs tors. theta energy: -13.128
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: 4
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -197.257833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.257833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.257833 (E_RNA)
where:
Base-Base interactions energy: -127.372
where: short stacking energy: -69.710
Base-Backbone interact. energy: -0.002
local terms energy: -69.883832
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -13.475
flat angles C4'-P-C4' energy: -13.520
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -18.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -181.340265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.340265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.340265 (E_RNA)
where:
Base-Base interactions energy: -108.564
where: short stacking energy: -55.116
Base-Backbone interact. energy: 1.417
local terms energy: -74.192733
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -11.681
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: 6, replica: 9
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -164.794982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.794982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.794982 (E_RNA)
where:
Base-Base interactions energy: -101.523
where: short stacking energy: -47.401
Base-Backbone interact. energy: 0.063
local terms energy: -63.334915
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -12.446
flat angles C4'-P-C4' energy: -12.364
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -13.585
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: 7
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -97.291438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.291438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.291438 (E_RNA)
where:
Base-Base interactions energy: -45.883
where: short stacking energy: -45.883
Base-Backbone interact. energy: -0.006
local terms energy: -51.402378
where:
bonds (distance) C4'-P energy: -8.095
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -12.039
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -8.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -88.646269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.646269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.646269 (E_RNA)
where:
Base-Base interactions energy: -38.883
where: short stacking energy: -34.306
Base-Backbone interact. energy: -0.027
local terms energy: -49.736316
where:
bonds (distance) C4'-P energy: -9.627
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -12.995
flat angles P-C4'-P energy: -6.669
tors. eta vs tors. theta energy: -5.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -86.130407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.130407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.130407 (E_RNA)
where:
Base-Base interactions energy: -24.057
where: short stacking energy: -24.057
Base-Backbone interact. energy: -0.445
local terms energy: -61.627910
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -18.842
flat angles C4'-P-C4' energy: -10.435
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -7.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -76.741655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.741655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.741655 (E_RNA)
where:
Base-Base interactions energy: -29.114
where: short stacking energy: -28.218
Base-Backbone interact. energy: -0.012
local terms energy: -47.614951
where:
bonds (distance) C4'-P energy: -10.088
bonds (distance) P-C4' energy: -16.630
flat angles C4'-P-C4' energy: -13.222
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -0.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -234.603038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.603038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.603038 (E_RNA)
where:
Base-Base interactions energy: -156.383
where: short stacking energy: -74.920
Base-Backbone interact. energy: -0.503
local terms energy: -77.717355
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -12.600
tors. eta vs tors. theta energy: -20.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -226.361224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.361224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.361224 (E_RNA)
where:
Base-Base interactions energy: -150.368
where: short stacking energy: -69.797
Base-Backbone interact. energy: -0.000
local terms energy: -75.993208
where:
bonds (distance) C4'-P energy: -12.572
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -18.785
flat angles P-C4'-P energy: -7.549
tors. eta vs tors. theta energy: -20.050
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: 1
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -207.933642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.933642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.933642 (E_RNA)
where:
Base-Base interactions energy: -141.512
where: short stacking energy: -54.443
Base-Backbone interact. energy: -0.766
local terms energy: -65.656015
where:
bonds (distance) C4'-P energy: -13.617
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -13.494
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -9.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -177.526339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.526339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.526339 (E_RNA)
where:
Base-Base interactions energy: -113.507
where: short stacking energy: -62.066
Base-Backbone interact. energy: -0.807
local terms energy: -63.212551
where:
bonds (distance) C4'-P energy: -9.307
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -14.842
flat angles P-C4'-P energy: -7.255
tors. eta vs tors. theta energy: -16.906
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: 6
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -175.723838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.723838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.723838 (E_RNA)
where:
Base-Base interactions energy: -116.446
where: short stacking energy: -40.998
Base-Backbone interact. energy: -0.032
local terms energy: -59.246262
where:
bonds (distance) C4'-P energy: -16.586
bonds (distance) P-C4' energy: -12.925
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -6.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -153.648079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.648079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.648079 (E_RNA)
where:
Base-Base interactions energy: -98.107
where: short stacking energy: -41.044
Base-Backbone interact. energy: -0.220
local terms energy: -55.321519
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -10.535
flat angles C4'-P-C4' energy: -9.592
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: -11.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -94.629394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.629394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.629394 (E_RNA)
where:
Base-Base interactions energy: -41.158
where: short stacking energy: -31.379
Base-Backbone interact. energy: -0.053
local terms energy: -53.418373
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -3.993
tors. eta vs tors. theta energy: -2.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -96.031549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.031549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.031549 (E_RNA)
where:
Base-Base interactions energy: -33.908
where: short stacking energy: -32.403
Base-Backbone interact. energy: -0.005
local terms energy: -62.118927
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -12.270
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -12.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -89.617068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.617068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.617068 (E_RNA)
where:
Base-Base interactions energy: -35.433
where: short stacking energy: -35.036
Base-Backbone interact. energy: -0.075
local terms energy: -54.109114
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -11.893
flat angles P-C4'-P energy: -4.743
tors. eta vs tors. theta energy: -7.954
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: 5
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -77.455577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.455577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.455577 (E_RNA)
where:
Base-Base interactions energy: -35.567
where: short stacking energy: -33.780
Base-Backbone interact. energy: -0.029
local terms energy: -41.859595
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -14.056
flat angles C4'-P-C4' energy: -11.091
flat angles P-C4'-P energy: -2.699
tors. eta vs tors. theta energy: -2.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -241.020534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.020534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.020534 (E_RNA)
where:
Base-Base interactions energy: -158.477
where: short stacking energy: -74.308
Base-Backbone interact. energy: -0.007
local terms energy: -82.536212
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -17.902
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -20.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -227.564221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.564221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.564221 (E_RNA)
where:
Base-Base interactions energy: -151.613
where: short stacking energy: -71.399
Base-Backbone interact. energy: -0.246
local terms energy: -75.704930
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -17.254
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -19.383
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: 3, replica: 1
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -207.443491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.443491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.443491 (E_RNA)
where:
Base-Base interactions energy: -145.702
where: short stacking energy: -61.277
Base-Backbone interact. energy: -0.208
local terms energy: -61.533569
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -15.180
flat angles C4'-P-C4' energy: -13.649
flat angles P-C4'-P energy: -3.592
tors. eta vs tors. theta energy: -13.483
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: 41
Temperature: 1.050000
Total energy: -193.289663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.289663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.289663 (E_RNA)
where:
Base-Base interactions energy: -125.890
where: short stacking energy: -60.422
Base-Backbone interact. energy: -0.079
local terms energy: -67.321062
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -16.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -177.935535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.935535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.935535 (E_RNA)
where:
Base-Base interactions energy: -111.544
where: short stacking energy: -50.821
Base-Backbone interact. energy: -0.078
local terms energy: -66.313578
where:
bonds (distance) C4'-P energy: -15.218
bonds (distance) P-C4' energy: -13.288
flat angles C4'-P-C4' energy: -16.533
flat angles P-C4'-P energy: -6.089
tors. eta vs tors. theta energy: -15.185
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: 6, replica: 9
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -175.287503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.287503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.287503 (E_RNA)
where:
Base-Base interactions energy: -111.909
where: short stacking energy: -60.891
Base-Backbone interact. energy: -0.503
local terms energy: -62.875552
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -9.416
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -6.350
tors. eta vs tors. theta energy: -19.134
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: 41
Temperature: 1.200000
Total energy: -94.854026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.854026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.854026 (E_RNA)
where:
Base-Base interactions energy: -45.747
where: short stacking energy: -21.299
Base-Backbone interact. energy: -0.214
local terms energy: -48.893387
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -16.341
flat angles C4'-P-C4' energy: -10.701
flat angles P-C4'-P energy: -8.076
tors. eta vs tors. theta energy: 0.326
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: 8, replica: 7
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -88.383024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.383024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.383024 (E_RNA)
where:
Base-Base interactions energy: -37.429
where: short stacking energy: -35.491
Base-Backbone interact. energy: -0.131
local terms energy: -50.822733
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -12.371
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: -0.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -82.797835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.797835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.797835 (E_RNA)
where:
Base-Base interactions energy: -32.013
where: short stacking energy: -28.851
Base-Backbone interact. energy: 0.012
local terms energy: -50.797036
where:
bonds (distance) C4'-P energy: -10.989
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -7.030
flat angles P-C4'-P energy: -13.863
tors. eta vs tors. theta energy: -3.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -72.317823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.317823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.317823 (E_RNA)
where:
Base-Base interactions energy: -25.151
where: short stacking energy: -25.151
Base-Backbone interact. energy: -0.288
local terms energy: -46.879208
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -12.702
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -2.705
tors. eta vs tors. theta energy: -4.061
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: 2
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -232.519841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.519841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.519841 (E_RNA)
where:
Base-Base interactions energy: -151.911
where: short stacking energy: -74.978
Base-Backbone interact. energy: -0.528
local terms energy: -80.080582
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -15.249
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -23.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -222.754068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.754068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.754068 (E_RNA)
where:
Base-Base interactions energy: -142.920
where: short stacking energy: -71.852
Base-Backbone interact. energy: -0.510
local terms energy: -79.323580
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -21.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -219.119727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.119727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.119727 (E_RNA)
where:
Base-Base interactions energy: -154.755
where: short stacking energy: -53.772
Base-Backbone interact. energy: -0.176
local terms energy: -64.188425
where:
bonds (distance) C4'-P energy: -11.242
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -14.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -204.131377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.131377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.131377 (E_RNA)
where:
Base-Base interactions energy: -133.872
where: short stacking energy: -69.408
Base-Backbone interact. energy: -0.216
local terms energy: -70.042780
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -8.202
tors. eta vs tors. theta energy: -20.514
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: 6
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -161.711089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.711089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.711089 (E_RNA)
where:
Base-Base interactions energy: -108.644
where: short stacking energy: -51.758
Base-Backbone interact. energy: -0.122
local terms energy: -52.944793
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -11.424
flat angles P-C4'-P energy: -4.714
tors. eta vs tors. theta energy: -9.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -158.190920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.190920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.190920 (E_RNA)
where:
Base-Base interactions energy: -99.451
where: short stacking energy: -49.988
Base-Backbone interact. energy: -0.023
local terms energy: -58.716889
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -10.033
flat angles C4'-P-C4' energy: -11.752
flat angles P-C4'-P energy: -10.736
tors. eta vs tors. theta energy: -11.716
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: 7
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -84.347912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.347912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.347912 (E_RNA)
where:
Base-Base interactions energy: -36.607
where: short stacking energy: -27.703
Base-Backbone interact. energy: 0.430
local terms energy: -48.171024
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -12.085
flat angles P-C4'-P energy: -3.951
tors. eta vs tors. theta energy: -3.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -89.707578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.707578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.707578 (E_RNA)
where:
Base-Base interactions energy: -27.011
where: short stacking energy: -24.355
Base-Backbone interact. energy: -0.250
local terms energy: -62.446541
where:
bonds (distance) C4'-P energy: -16.106
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -12.931
tors. eta vs tors. theta energy: -2.903
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: 8
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -82.152961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.152961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.152961 (E_RNA)
where:
Base-Base interactions energy: -39.340
where: short stacking energy: -34.865
Base-Backbone interact. energy: -0.271
local terms energy: -42.541257
where:
bonds (distance) C4'-P energy: -9.826
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -11.862
flat angles P-C4'-P energy: -7.570
tors. eta vs tors. theta energy: 1.147
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: 5
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -78.937420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.937420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.937420 (E_RNA)
where:
Base-Base interactions energy: -25.264
where: short stacking energy: -25.264
Base-Backbone interact. energy: -0.124
local terms energy: -53.548848
where:
bonds (distance) C4'-P energy: -11.951
bonds (distance) P-C4' energy: -11.893
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -6.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -233.839923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.839923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.839923 (E_RNA)
where:
Base-Base interactions energy: -155.043
where: short stacking energy: -75.295
Base-Backbone interact. energy: -0.631
local terms energy: -78.166391
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -12.789
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -13.125
tors. eta vs tors. theta energy: -22.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -226.540176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.540176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.540176 (E_RNA)
where:
Base-Base interactions energy: -155.185
where: short stacking energy: -65.139
Base-Backbone interact. energy: -0.164
local terms energy: -71.191606
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -16.988
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: 3, replica: 10
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -211.613285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.613285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.613285 (E_RNA)
where:
Base-Base interactions energy: -136.663
where: short stacking energy: -74.781
Base-Backbone interact. energy: -0.001
local terms energy: -74.949490
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -20.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -192.623746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.623746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.623746 (E_RNA)
where:
Base-Base interactions energy: -117.017
where: short stacking energy: -64.012
Base-Backbone interact. energy: -0.017
local terms energy: -75.590335
where:
bonds (distance) C4'-P energy: -16.207
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -20.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -189.992325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.992325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.992325 (E_RNA)
where:
Base-Base interactions energy: -122.805
where: short stacking energy: -60.671
Base-Backbone interact. energy: -0.002
local terms energy: -67.185240
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -9.026
flat angles P-C4'-P energy: -12.004
tors. eta vs tors. theta energy: -20.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -164.535066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.535066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.535066 (E_RNA)
where:
Base-Base interactions energy: -96.092
where: short stacking energy: -55.563
Base-Backbone interact. energy: -0.009
local terms energy: -68.434403
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -9.019
tors. eta vs tors. theta energy: -15.235
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: 7
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -94.102625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.102625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.102625 (E_RNA)
where:
Base-Base interactions energy: -43.714
where: short stacking energy: -43.714
Base-Backbone interact. energy: -0.006
local terms energy: -50.382668
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -7.788
flat angles C4'-P-C4' energy: -12.445
flat angles P-C4'-P energy: -5.683
tors. eta vs tors. theta energy: -7.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -87.944919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.944919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.944919 (E_RNA)
where:
Base-Base interactions energy: -37.593
where: short stacking energy: -37.121
Base-Backbone interact. energy: -0.172
local terms energy: -50.180490
where:
bonds (distance) C4'-P energy: -12.055
bonds (distance) P-C4' energy: -14.979
flat angles C4'-P-C4' energy: -11.994
flat angles P-C4'-P energy: -7.392
tors. eta vs tors. theta energy: -3.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -108.395066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.395066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.395066 (E_RNA)
where:
Base-Base interactions energy: -59.703
where: short stacking energy: -32.096
Base-Backbone interact. energy: -0.635
local terms energy: -48.056888
where:
bonds (distance) C4'-P energy: -7.954
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -4.117
tors. eta vs tors. theta energy: -3.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -82.208137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.208137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.208137 (E_RNA)
where:
Base-Base interactions energy: -35.643
where: short stacking energy: -27.367
Base-Backbone interact. energy: -0.075
local terms energy: -46.490807
where:
bonds (distance) C4'-P energy: -8.178
bonds (distance) P-C4' energy: -13.903
flat angles C4'-P-C4' energy: -11.436
flat angles P-C4'-P energy: -7.467
tors. eta vs tors. theta energy: -5.508
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: 1, replica: 2
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -235.473500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.473500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.473500 (E_RNA)
where:
Base-Base interactions energy: -152.577
where: short stacking energy: -75.089
Base-Backbone interact. energy: -0.004
local terms energy: -82.892870
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -13.867
tors. eta vs tors. theta energy: -22.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -210.763814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.763814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.763814 (E_RNA)
where:
Base-Base interactions energy: -144.480
where: short stacking energy: -61.394
Base-Backbone interact. energy: -0.509
local terms energy: -65.774265
where:
bonds (distance) C4'-P energy: -4.517
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -16.785
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -15.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -187.929795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.929795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.929795 (E_RNA)
where:
Base-Base interactions energy: -122.288
where: short stacking energy: -61.057
Base-Backbone interact. energy: -0.087
local terms energy: -65.554457
where:
bonds (distance) C4'-P energy: -13.782
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -6.528
tors. eta vs tors. theta energy: -14.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -222.597719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.597719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.597719 (E_RNA)
where:
Base-Base interactions energy: -146.624
where: short stacking energy: -65.864
Base-Backbone interact. energy: -0.093
local terms energy: -75.881476
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -14.254
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: -19.766
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: 9
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -167.352468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.352468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.352468 (E_RNA)
where:
Base-Base interactions energy: -99.432
where: short stacking energy: -52.324
Base-Backbone interact. energy: -0.174
local terms energy: -67.746497
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -14.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -180.088947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.088947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.088947 (E_RNA)
where:
Base-Base interactions energy: -118.016
where: short stacking energy: -52.896
Base-Backbone interact. energy: -0.246
local terms energy: -61.827460
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -10.183
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -14.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -94.264426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.264426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.264426 (E_RNA)
where:
Base-Base interactions energy: -44.219
where: short stacking energy: -33.220
Base-Backbone interact. energy: -0.192
local terms energy: -49.853456
where:
bonds (distance) C4'-P energy: -10.519
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -10.426
flat angles P-C4'-P energy: -8.846
tors. eta vs tors. theta energy: -4.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -86.750607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.750607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.750607 (E_RNA)
where:
Base-Base interactions energy: -26.703
where: short stacking energy: -26.703
Base-Backbone interact. energy: -1.109
local terms energy: -58.938452
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -13.218
tors. eta vs tors. theta energy: -1.115
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: 9, replica: 8
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -87.154431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.154431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.154431 (E_RNA)
where:
Base-Base interactions energy: -44.463
where: short stacking energy: -32.355
Base-Backbone interact. energy: 0.429
local terms energy: -43.120205
where:
bonds (distance) C4'-P energy: -13.054
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -12.077
flat angles P-C4'-P energy: -3.484
tors. eta vs tors. theta energy: -1.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -86.352181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.352181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.352181 (E_RNA)
where:
Base-Base interactions energy: -37.093
where: short stacking energy: -19.210
Base-Backbone interact. energy: -0.133
local terms energy: -49.125261
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -11.048
flat angles P-C4'-P energy: -5.941
tors. eta vs tors. theta energy: -2.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -236.398679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.398679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.398679 (E_RNA)
where:
Base-Base interactions energy: -155.967
where: short stacking energy: -75.099
Base-Backbone interact. energy: -0.454
local terms energy: -79.978211
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -23.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -220.682831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.682831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.682831 (E_RNA)
where:
Base-Base interactions energy: -145.351
where: short stacking energy: -53.525
Base-Backbone interact. energy: -0.788
local terms energy: -74.543514
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -18.564
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: 6
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -202.215443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.215443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.215443 (E_RNA)
where:
Base-Base interactions energy: -128.099
where: short stacking energy: -67.326
Base-Backbone interact. energy: -0.018
local terms energy: -74.098685
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -11.562
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -17.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -217.667051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.667051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.667051 (E_RNA)
where:
Base-Base interactions energy: -148.451
where: short stacking energy: -75.309
Base-Backbone interact. energy: -0.594
local terms energy: -68.622731
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -9.619
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -8.706
tors. eta vs tors. theta energy: -17.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -180.911353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.911353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.911353 (E_RNA)
where:
Base-Base interactions energy: -110.681
where: short stacking energy: -58.096
Base-Backbone interact. energy: -0.122
local terms energy: -70.108136
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -16.964
flat angles P-C4'-P energy: -11.254
tors. eta vs tors. theta energy: -11.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -170.752933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.752933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.752933 (E_RNA)
where:
Base-Base interactions energy: -103.043
where: short stacking energy: -49.626
Base-Backbone interact. energy: -1.502
local terms energy: -66.207940
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -8.316
tors. eta vs tors. theta energy: -14.815
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: 3
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -106.784955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.784955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.784955 (E_RNA)
where:
Base-Base interactions energy: -52.526
where: short stacking energy: -39.892
Base-Backbone interact. energy: -0.013
local terms energy: -54.246443
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -7.018
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: -8.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -95.280751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.280751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.280751 (E_RNA)
where:
Base-Base interactions energy: -39.335
where: short stacking energy: -33.627
Base-Backbone interact. energy: -0.126
local terms energy: -55.819536
where:
bonds (distance) C4'-P energy: -16.115
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -12.317
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: -0.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -83.537250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.537250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.537250 (E_RNA)
where:
Base-Base interactions energy: -36.501
where: short stacking energy: -35.580
Base-Backbone interact. energy: -0.020
local terms energy: -47.016433
where:
bonds (distance) C4'-P energy: -4.461
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -10.693
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: 10, replica: 5
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -66.875227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.875227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.875227 (E_RNA)
where:
Base-Base interactions energy: -32.949
where: short stacking energy: -12.500
Base-Backbone interact. energy: -0.529
local terms energy: -33.396834
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -11.822
flat angles C4'-P-C4' energy: -8.646
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: 8.258
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: 2
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -231.472122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.472122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.472122 (E_RNA)
where:
Base-Base interactions energy: -154.755
where: short stacking energy: -72.056
Base-Backbone interact. energy: -0.017
local terms energy: -76.700405
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -13.652
tors. eta vs tors. theta energy: -17.969
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: 1
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -218.338775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.338775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.338775 (E_RNA)
where:
Base-Base interactions energy: -152.680
where: short stacking energy: -63.470
Base-Backbone interact. energy: -0.154
local terms energy: -65.504774
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: -14.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -225.004237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.004237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.004237 (E_RNA)
where:
Base-Base interactions energy: -151.431
where: short stacking energy: -74.667
Base-Backbone interact. energy: -0.134
local terms energy: -73.439185
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -20.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -189.557448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.557448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.557448 (E_RNA)
where:
Base-Base interactions energy: -118.482
where: short stacking energy: -58.529
Base-Backbone interact. energy: -0.004
local terms energy: -71.071189
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -16.401
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -14.501
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: 5, replica: 4
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -194.621835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.621835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.621835 (E_RNA)
where:
Base-Base interactions energy: -129.363
where: short stacking energy: -56.414
Base-Backbone interact. energy: -0.105
local terms energy: -65.154220
where:
bonds (distance) C4'-P energy: -10.953
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -12.027
tors. eta vs tors. theta energy: -14.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -182.631571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.631571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.631571 (E_RNA)
where:
Base-Base interactions energy: -118.056
where: short stacking energy: -51.989
Base-Backbone interact. energy: -0.025
local terms energy: -64.550105
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -7.932
tors. eta vs tors. theta energy: -14.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -95.503238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.503238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.503238 (E_RNA)
where:
Base-Base interactions energy: -42.043
where: short stacking energy: -34.004
Base-Backbone interact. energy: -0.306
local terms energy: -53.154688
where:
bonds (distance) C4'-P energy: -8.990
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: -3.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -90.219730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.219730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.219730 (E_RNA)
where:
Base-Base interactions energy: -44.074
where: short stacking energy: -35.914
Base-Backbone interact. energy: -0.114
local terms energy: -46.031704
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -2.498
tors. eta vs tors. theta energy: -1.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -91.041473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.041473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.041473 (E_RNA)
where:
Base-Base interactions energy: -51.409
where: short stacking energy: -24.905
Base-Backbone interact. energy: 0.962
local terms energy: -40.595000
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -13.208
flat angles C4'-P-C4' energy: -11.418
flat angles P-C4'-P energy: -3.213
tors. eta vs tors. theta energy: 1.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -85.594472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.594472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.594472 (E_RNA)
where:
Base-Base interactions energy: -26.956
where: short stacking energy: -26.956
Base-Backbone interact. energy: 5.071
local terms energy: -63.709382
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -11.383
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: 2
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -228.520047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.520047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.520047 (E_RNA)
where:
Base-Base interactions energy: -146.624
where: short stacking energy: -73.440
Base-Backbone interact. energy: -0.007
local terms energy: -81.888726
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -17.904
flat angles C4'-P-C4' energy: -15.819
flat angles P-C4'-P energy: -14.395
tors. eta vs tors. theta energy: -21.266
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: 10
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -231.331788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.331788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.331788 (E_RNA)
where:
Base-Base interactions energy: -148.072
where: short stacking energy: -79.275
Base-Backbone interact. energy: -1.430
local terms energy: -81.829751
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -17.856
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: -22.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -211.983943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.983943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.983943 (E_RNA)
where:
Base-Base interactions energy: -141.698
where: short stacking energy: -58.728
Base-Backbone interact. energy: 0.100
local terms energy: -70.385798
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -12.753
flat angles C4'-P-C4' energy: -17.738
flat angles P-C4'-P energy: -12.600
tors. eta vs tors. theta energy: -14.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -193.539141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.539141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.539141 (E_RNA)
where:
Base-Base interactions energy: -124.499
where: short stacking energy: -58.531
Base-Backbone interact. energy: -0.197
local terms energy: -68.843633
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -16.207
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -16.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -186.025315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.025315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.025315 (E_RNA)
where:
Base-Base interactions energy: -121.108
where: short stacking energy: -55.701
Base-Backbone interact. energy: -2.673
local terms energy: -62.244493
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -12.935
flat angles C4'-P-C4' energy: -13.983
flat angles P-C4'-P energy: -6.265
tors. eta vs tors. theta energy: -16.078
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: 9
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -192.994302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.994302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.994302 (E_RNA)
where:
Base-Base interactions energy: -118.753
where: short stacking energy: -68.327
Base-Backbone interact. energy: -0.001
local terms energy: -74.240135
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -13.537
flat angles C4'-P-C4' energy: -11.336
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -21.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -107.751408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.751408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.751408 (E_RNA)
where:
Base-Base interactions energy: -49.833
where: short stacking energy: -46.550
Base-Backbone interact. energy: 1.351
local terms energy: -59.269137
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -9.980
flat angles C4'-P-C4' energy: -12.079
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -12.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -86.279548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.279548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.279548 (E_RNA)
where:
Base-Base interactions energy: -41.165
where: short stacking energy: -33.855
Base-Backbone interact. energy: -0.964
local terms energy: -44.150565
where:
bonds (distance) C4'-P energy: -8.237
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -0.342
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: 9, replica: 3
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -101.326518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.326518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.326518 (E_RNA)
where:
Base-Base interactions energy: -50.185
where: short stacking energy: -33.735
Base-Backbone interact. energy: -0.138
local terms energy: -51.003394
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -9.765
flat angles C4'-P-C4' energy: -10.472
flat angles P-C4'-P energy: -7.628
tors. eta vs tors. theta energy: -9.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -72.091803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.091803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.091803 (E_RNA)
where:
Base-Base interactions energy: -28.547
where: short stacking energy: -20.289
Base-Backbone interact. energy: 0.743
local terms energy: -44.287845
where:
bonds (distance) C4'-P energy: -10.608
bonds (distance) P-C4' energy: -9.905
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: -0.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -225.440805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.440805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.440805 (E_RNA)
where:
Base-Base interactions energy: -146.462
where: short stacking energy: -70.198
Base-Backbone interact. energy: -0.728
local terms energy: -78.251262
where:
bonds (distance) C4'-P energy: -15.073
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -14.333
tors. eta vs tors. theta energy: -17.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -225.517845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.517845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.517845 (E_RNA)
where:
Base-Base interactions energy: -148.411
where: short stacking energy: -74.799
Base-Backbone interact. energy: -0.197
local terms energy: -76.909851
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -22.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -200.624629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.624629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.624629 (E_RNA)
where:
Base-Base interactions energy: -130.110
where: short stacking energy: -69.509
Base-Backbone interact. energy: -2.735
local terms energy: -67.778865
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -10.478
flat angles C4'-P-C4' energy: -16.813
flat angles P-C4'-P energy: -6.115
tors. eta vs tors. theta energy: -21.367
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: 48
Temperature: 1.050000
Total energy: -216.762605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.762605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.762605 (E_RNA)
where:
Base-Base interactions energy: -155.367
where: short stacking energy: -58.544
Base-Backbone interact. energy: -0.172
local terms energy: -61.223456
where:
bonds (distance) C4'-P energy: -14.656
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -13.151
flat angles P-C4'-P energy: -5.261
tors. eta vs tors. theta energy: -13.504
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: 9
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -183.859044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.859044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.859044 (E_RNA)
where:
Base-Base interactions energy: -122.412
where: short stacking energy: -57.164
Base-Backbone interact. energy: -0.168
local terms energy: -61.279439
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -10.639
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -13.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -165.402090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.402090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.402090 (E_RNA)
where:
Base-Base interactions energy: -105.209
where: short stacking energy: -41.653
Base-Backbone interact. energy: -0.108
local terms energy: -60.085556
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -5.208
tors. eta vs tors. theta energy: -14.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -96.799062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.799062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.799062 (E_RNA)
where:
Base-Base interactions energy: -41.618
where: short stacking energy: -33.505
Base-Backbone interact. energy: -0.325
local terms energy: -54.856317
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -12.071
flat angles C4'-P-C4' energy: -12.833
flat angles P-C4'-P energy: -6.981
tors. eta vs tors. theta energy: -9.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -97.566690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.566690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.566690 (E_RNA)
where:
Base-Base interactions energy: -34.279
where: short stacking energy: -34.279
Base-Backbone interact. energy: -0.031
local terms energy: -63.256367
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -12.679
tors. eta vs tors. theta energy: -7.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -89.512220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.512220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.512220 (E_RNA)
where:
Base-Base interactions energy: -31.776
where: short stacking energy: -31.756
Base-Backbone interact. energy: -0.023
local terms energy: -57.713043
where:
bonds (distance) C4'-P energy: -11.168
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -16.325
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -5.790
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: 3
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -87.286310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.286310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.286310 (E_RNA)
where:
Base-Base interactions energy: -35.399
where: short stacking energy: -35.399
Base-Backbone interact. energy: -0.138
local terms energy: -51.748743
where:
bonds (distance) C4'-P energy: -10.342
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -11.417
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -8.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -231.577417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.577417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.577417 (E_RNA)
where:
Base-Base interactions energy: -155.547
where: short stacking energy: -78.564
Base-Backbone interact. energy: -0.588
local terms energy: -75.442552
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: -19.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -202.977833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.977833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.977833 (E_RNA)
where:
Base-Base interactions energy: -125.865
where: short stacking energy: -58.989
Base-Backbone interact. energy: -1.967
local terms energy: -75.146407
where:
bonds (distance) C4'-P energy: -15.737
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -17.714
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: 3, replica: 2
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -214.028078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.028078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.028078 (E_RNA)
where:
Base-Base interactions energy: -147.925
where: short stacking energy: -71.178
Base-Backbone interact. energy: -0.588
local terms energy: -65.515646
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -10.977
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -8.140
tors. eta vs tors. theta energy: -15.601
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: 9
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -189.448996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.448996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.448996 (E_RNA)
where:
Base-Base interactions energy: -119.645
where: short stacking energy: -56.964
Base-Backbone interact. energy: -0.002
local terms energy: -69.801351
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -14.217
flat angles C4'-P-C4' energy: -12.110
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -20.367
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: 5, replica: 1
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -204.072096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.072096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.072096 (E_RNA)
where:
Base-Base interactions energy: -139.138
where: short stacking energy: -52.522
Base-Backbone interact. energy: -0.187
local terms energy: -64.747433
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -10.672
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: 6
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -159.059934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.059934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.059934 (E_RNA)
where:
Base-Base interactions energy: -96.359
where: short stacking energy: -42.012
Base-Backbone interact. energy: -0.061
local terms energy: -62.639288
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -12.590
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -8.459
tors. eta vs tors. theta energy: -12.621
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: 8
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -109.631210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.631210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.631210 (E_RNA)
where:
Base-Base interactions energy: -50.406
where: short stacking energy: -40.319
Base-Backbone interact. energy: -0.072
local terms energy: -59.153582
where:
bonds (distance) C4'-P energy: -11.166
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -11.108
flat angles P-C4'-P energy: -14.435
tors. eta vs tors. theta energy: -7.381
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: 7
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -82.494420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.494420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.494420 (E_RNA)
where:
Base-Base interactions energy: -27.456
where: short stacking energy: -26.054
Base-Backbone interact. energy: -0.095
local terms energy: -54.942758
where:
bonds (distance) C4'-P energy: -17.191
bonds (distance) P-C4' energy: -15.741
flat angles C4'-P-C4' energy: -10.513
flat angles P-C4'-P energy: -7.452
tors. eta vs tors. theta energy: -4.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -90.554207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.554207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.554207 (E_RNA)
where:
Base-Base interactions energy: -40.213
where: short stacking energy: -37.000
Base-Backbone interact. energy: -0.109
local terms energy: -50.231766
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -7.707
tors. eta vs tors. theta energy: -3.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -66.010672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.010672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.010672 (E_RNA)
where:
Base-Base interactions energy: -18.293
where: short stacking energy: -17.994
Base-Backbone interact. energy: -0.163
local terms energy: -47.555492
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -10.654
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -8.336
tors. eta vs tors. theta energy: -0.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -233.129607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.129607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.129607 (E_RNA)
where:
Base-Base interactions energy: -151.301
where: short stacking energy: -69.993
Base-Backbone interact. energy: -0.001
local terms energy: -81.827710
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -22.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -210.407820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.407820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.407820 (E_RNA)
where:
Base-Base interactions energy: -128.976
where: short stacking energy: -70.966
Base-Backbone interact. energy: -3.062
local terms energy: -78.369929
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -13.739
tors. eta vs tors. theta energy: -20.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -228.948215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.948215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.948215 (E_RNA)
where:
Base-Base interactions energy: -149.588
where: short stacking energy: -74.688
Base-Backbone interact. energy: -0.002
local terms energy: -79.357687
where:
bonds (distance) C4'-P energy: -10.761
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -13.037
tors. eta vs tors. theta energy: -23.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -198.212471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.212471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.212471 (E_RNA)
where:
Base-Base interactions energy: -127.047
where: short stacking energy: -58.936
Base-Backbone interact. energy: -0.355
local terms energy: -70.810609
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -13.615
flat angles C4'-P-C4' energy: -17.281
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: -18.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -211.290995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.290995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.290995 (E_RNA)
where:
Base-Base interactions energy: -147.852
where: short stacking energy: -63.344
Base-Backbone interact. energy: -0.581
local terms energy: -62.858173
where:
bonds (distance) C4'-P energy: -11.136
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: -14.240
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: 50
Temperature: 1.150000
Total energy: -149.613827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.613827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.613827 (E_RNA)
where:
Base-Base interactions energy: -90.500
where: short stacking energy: -47.047
Base-Backbone interact. energy: -0.013
local terms energy: -59.100430
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -10.482
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -8.046
tors. eta vs tors. theta energy: -11.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -99.188875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.188875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.188875 (E_RNA)
where:
Base-Base interactions energy: -43.221
where: short stacking energy: -24.787
Base-Backbone interact. energy: -0.195
local terms energy: -55.773375
where:
bonds (distance) C4'-P energy: -12.481
bonds (distance) P-C4' energy: -10.120
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -9.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -97.671691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.671691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.671691 (E_RNA)
where:
Base-Base interactions energy: -51.716
where: short stacking energy: -24.156
Base-Backbone interact. energy: -0.269
local terms energy: -45.686800
where:
bonds (distance) C4'-P energy: -9.979
bonds (distance) P-C4' energy: -16.147
flat angles C4'-P-C4' energy: -4.565
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: -3.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -85.183003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.183003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.183003 (E_RNA)
where:
Base-Base interactions energy: -33.110
where: short stacking energy: -27.683
Base-Backbone interact. energy: -1.033
local terms energy: -51.040287
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -12.826
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -0.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -86.056052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.056052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.056052 (E_RNA)
where:
Base-Base interactions energy: -31.798
where: short stacking energy: -31.082
Base-Backbone interact. energy: -0.018
local terms energy: -54.239658
where:
bonds (distance) C4'-P energy: -7.798
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -8.118
tors. eta vs tors. theta energy: -5.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -223.641332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.641332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.641332 (E_RNA)
where:
Base-Base interactions energy: -146.349
where: short stacking energy: -71.191
Base-Backbone interact. energy: -0.638
local terms energy: -76.654547
where:
bonds (distance) C4'-P energy: -14.929
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -12.239
tors. eta vs tors. theta energy: -16.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -231.152499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.152499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.152499 (E_RNA)
where:
Base-Base interactions energy: -156.216
where: short stacking energy: -73.813
Base-Backbone interact. energy: -0.076
local terms energy: -74.860637
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -11.379
tors. eta vs tors. theta energy: -19.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -200.954769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.954769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.954769 (E_RNA)
where:
Base-Base interactions energy: -129.005
where: short stacking energy: -68.972
Base-Backbone interact. energy: -0.144
local terms energy: -71.806294
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -18.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -221.349830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.349830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.349830 (E_RNA)
where:
Base-Base interactions energy: -157.489
where: short stacking energy: -61.849
Base-Backbone interact. energy: -0.237
local terms energy: -63.623660
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -13.009
flat angles C4'-P-C4' energy: -10.379
flat angles P-C4'-P energy: -7.092
tors. eta vs tors. theta energy: -16.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -183.019825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.019825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.019825 (E_RNA)
where:
Base-Base interactions energy: -109.774
where: short stacking energy: -53.186
Base-Backbone interact. energy: -0.005
local terms energy: -73.240521
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -17.042
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -16.281
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: 6, replica: 6
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -185.819747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.819747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.819747 (E_RNA)
where:
Base-Base interactions energy: -110.914
where: short stacking energy: -58.124
Base-Backbone interact. energy: -0.022
local terms energy: -74.883418
where:
bonds (distance) C4'-P energy: -18.412
bonds (distance) P-C4' energy: -12.404
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -11.262
tors. eta vs tors. theta energy: -16.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -109.557549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.557549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.557549 (E_RNA)
where:
Base-Base interactions energy: -58.122
where: short stacking energy: -40.368
Base-Backbone interact. energy: -2.549
local terms energy: -48.886352
where:
bonds (distance) C4'-P energy: -10.232
bonds (distance) P-C4' energy: -16.707
flat angles C4'-P-C4' energy: -8.377
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -5.160
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: 3
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -129.030422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.030422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.030422 (E_RNA)
where:
Base-Base interactions energy: -81.843
where: short stacking energy: -39.233
Base-Backbone interact. energy: -0.029
local terms energy: -47.158725
where:
bonds (distance) C4'-P energy: -9.252
bonds (distance) P-C4' energy: -11.658
flat angles C4'-P-C4' energy: -8.726
flat angles P-C4'-P energy: -11.978
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -75.257944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.257944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.257944 (E_RNA)
where:
Base-Base interactions energy: -39.437
where: short stacking energy: -30.935
Base-Backbone interact. energy: -0.150
local terms energy: -35.670349
where:
bonds (distance) C4'-P energy: -10.516
bonds (distance) P-C4' energy: -9.919
flat angles C4'-P-C4' energy: -4.328
flat angles P-C4'-P energy: -7.807
tors. eta vs tors. theta energy: -3.100
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: 5
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -81.259671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.259671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.259671 (E_RNA)
where:
Base-Base interactions energy: -27.092
where: short stacking energy: -27.092
Base-Backbone interact. energy: -1.300
local terms energy: -52.867126
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -10.888
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: -2.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -229.654147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.654147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.654147 (E_RNA)
where:
Base-Base interactions energy: -152.502
where: short stacking energy: -78.257
Base-Backbone interact. energy: -0.038
local terms energy: -77.114075
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -17.802
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -19.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -229.809317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.809317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.809317 (E_RNA)
where:
Base-Base interactions energy: -150.076
where: short stacking energy: -68.403
Base-Backbone interact. energy: -0.260
local terms energy: -79.474002
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -18.209
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -20.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -223.536805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.536805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.536805 (E_RNA)
where:
Base-Base interactions energy: -155.196
where: short stacking energy: -71.211
Base-Backbone interact. energy: -0.152
local terms energy: -68.188732
where:
bonds (distance) C4'-P energy: -11.433
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: -18.263
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: 4, replica: 4
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -191.270589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.270589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.270589 (E_RNA)
where:
Base-Base interactions energy: -119.807
where: short stacking energy: -57.228
Base-Backbone interact. energy: -0.870
local terms energy: -70.593806
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -6.775
tors. eta vs tors. theta energy: -18.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -181.447726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.447726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.447726 (E_RNA)
where:
Base-Base interactions energy: -111.942
where: short stacking energy: -46.752
Base-Backbone interact. energy: -0.132
local terms energy: -69.372949
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -14.679
tors. eta vs tors. theta energy: -9.949
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: 6, replica: 9
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -185.390036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.390036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.390036 (E_RNA)
where:
Base-Base interactions energy: -113.761
where: short stacking energy: -60.341
Base-Backbone interact. energy: -0.032
local terms energy: -71.597487
where:
bonds (distance) C4'-P energy: -14.882
bonds (distance) P-C4' energy: -11.349
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -21.744
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: 3
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -176.539318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.539318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.539318 (E_RNA)
where:
Base-Base interactions energy: -109.433
where: short stacking energy: -57.862
Base-Backbone interact. energy: -0.103
local terms energy: -67.002681
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: -17.114
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: 8, replica: 7
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -125.987782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.987782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.987782 (E_RNA)
where:
Base-Base interactions energy: -66.958
where: short stacking energy: -37.355
Base-Backbone interact. energy: -0.713
local terms energy: -58.317257
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -13.650
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -10.606
tors. eta vs tors. theta energy: -5.902
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: 8
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -74.120661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.120661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.120661 (E_RNA)
where:
Base-Base interactions energy: -25.532
where: short stacking energy: -25.532
Base-Backbone interact. energy: -0.143
local terms energy: -48.446030
where:
bonds (distance) C4'-P energy: -11.032
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -13.195
flat angles P-C4'-P energy: -7.361
tors. eta vs tors. theta energy: -1.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -85.408130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.408130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.408130 (E_RNA)
where:
Base-Base interactions energy: -31.050
where: short stacking energy: -25.886
Base-Backbone interact. energy: -0.028
local terms energy: -54.330232
where:
bonds (distance) C4'-P energy: -16.942
bonds (distance) P-C4' energy: -10.434
flat angles C4'-P-C4' energy: -15.482
flat angles P-C4'-P energy: -6.654
tors. eta vs tors. theta energy: -4.818
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: 2
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -232.846380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.846380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.846380 (E_RNA)
where:
Base-Base interactions energy: -154.651
where: short stacking energy: -71.152
Base-Backbone interact. energy: -0.005
local terms energy: -78.190243
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -13.301
flat angles P-C4'-P energy: -13.928
tors. eta vs tors. theta energy: -21.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -222.178583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.178583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.178583 (E_RNA)
where:
Base-Base interactions energy: -145.616
where: short stacking energy: -70.633
Base-Backbone interact. energy: -0.696
local terms energy: -75.866275
where:
bonds (distance) C4'-P energy: -16.122
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -18.609
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: 3, replica: 10
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -216.898707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.898707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.898707 (E_RNA)
where:
Base-Base interactions energy: -143.783
where: short stacking energy: -71.839
Base-Backbone interact. energy: -0.001
local terms energy: -73.114425
where:
bonds (distance) C4'-P energy: -10.591
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -17.300
flat angles P-C4'-P energy: -12.795
tors. eta vs tors. theta energy: -18.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -184.478151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.478151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.478151 (E_RNA)
where:
Base-Base interactions energy: -119.466
where: short stacking energy: -58.454
Base-Backbone interact. energy: 0.335
local terms energy: -65.347219
where:
bonds (distance) C4'-P energy: -10.605
bonds (distance) P-C4' energy: -13.555
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -11.763
tors. eta vs tors. theta energy: -14.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -189.941633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.941633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.941633 (E_RNA)
where:
Base-Base interactions energy: -118.481
where: short stacking energy: -61.328
Base-Backbone interact. energy: -0.455
local terms energy: -71.005505
where:
bonds (distance) C4'-P energy: -11.842
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -7.671
tors. eta vs tors. theta energy: -21.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -170.198155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.198155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.198155 (E_RNA)
where:
Base-Base interactions energy: -109.120
where: short stacking energy: -54.999
Base-Backbone interact. energy: -0.122
local terms energy: -60.956295
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -4.727
tors. eta vs tors. theta energy: -9.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -184.172963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.172963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.172963 (E_RNA)
where:
Base-Base interactions energy: -113.295
where: short stacking energy: -52.661
Base-Backbone interact. energy: -0.334
local terms energy: -70.543576
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -14.065
flat angles C4'-P-C4' energy: -12.087
flat angles P-C4'-P energy: -12.872
tors. eta vs tors. theta energy: -16.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -161.317852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.317852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.317852 (E_RNA)
where:
Base-Base interactions energy: -112.607
where: short stacking energy: -54.998
Base-Backbone interact. energy: -0.552
local terms energy: -48.159512
where:
bonds (distance) C4'-P energy: -5.937
bonds (distance) P-C4' energy: -13.159
flat angles C4'-P-C4' energy: -12.464
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -6.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -84.729925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.729925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.729925 (E_RNA)
where:
Base-Base interactions energy: -31.135
where: short stacking energy: -31.037
Base-Backbone interact. energy: 0.023
local terms energy: -53.617746
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -10.834
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -3.049
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: 5
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -80.319240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.319240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.319240 (E_RNA)
where:
Base-Base interactions energy: -26.759
where: short stacking energy: -16.028
Base-Backbone interact. energy: -0.106
local terms energy: -53.454516
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -11.182
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -5.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -227.780790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.780790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.780790 (E_RNA)
where:
Base-Base interactions energy: -146.241
where: short stacking energy: -66.916
Base-Backbone interact. energy: -0.332
local terms energy: -81.208000
where:
bonds (distance) C4'-P energy: -16.347
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -12.273
tors. eta vs tors. theta energy: -20.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -226.415162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.415162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.415162 (E_RNA)
where:
Base-Base interactions energy: -150.493
where: short stacking energy: -69.176
Base-Backbone interact. energy: -0.046
local terms energy: -75.876451
where:
bonds (distance) C4'-P energy: -10.564
bonds (distance) P-C4' energy: -15.345
flat angles C4'-P-C4' energy: -17.576
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -22.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -216.648974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.648974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.648974 (E_RNA)
where:
Base-Base interactions energy: -143.653
where: short stacking energy: -65.712
Base-Backbone interact. energy: -0.320
local terms energy: -72.675732
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -13.155
tors. eta vs tors. theta energy: -16.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -193.282709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.282709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.282709 (E_RNA)
where:
Base-Base interactions energy: -132.124
where: short stacking energy: -61.693
Base-Backbone interact. energy: -0.249
local terms energy: -60.910318
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -10.530
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: -11.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -190.384167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.384167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.384167 (E_RNA)
where:
Base-Base interactions energy: -116.713
where: short stacking energy: -61.233
Base-Backbone interact. energy: -0.082
local terms energy: -73.589151
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -13.875
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -19.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -164.245384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.245384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.245384 (E_RNA)
where:
Base-Base interactions energy: -101.957
where: short stacking energy: -58.183
Base-Backbone interact. energy: -2.456
local terms energy: -59.833052
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -10.307
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -11.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -167.296028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.296028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.296028 (E_RNA)
where:
Base-Base interactions energy: -101.381
where: short stacking energy: -51.345
Base-Backbone interact. energy: 0.720
local terms energy: -66.634387
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -7.376
tors. eta vs tors. theta energy: -12.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -189.724143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.724143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.724143 (E_RNA)
where:
Base-Base interactions energy: -124.847
where: short stacking energy: -59.104
Base-Backbone interact. energy: -0.004
local terms energy: -64.872774
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -11.663
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: -17.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -75.256080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.256080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.256080 (E_RNA)
where:
Base-Base interactions energy: -31.174
where: short stacking energy: -18.707
Base-Backbone interact. energy: -0.745
local terms energy: -43.337428
where:
bonds (distance) C4'-P energy: -10.920
bonds (distance) P-C4' energy: -10.633
flat angles C4'-P-C4' energy: -15.674
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: 4.480
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: 8
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -77.877116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.877116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.877116 (E_RNA)
where:
Base-Base interactions energy: -29.375
where: short stacking energy: -29.375
Base-Backbone interact. energy: -0.281
local terms energy: -48.221097
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -13.300
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -4.330
tors. eta vs tors. theta energy: -2.791
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: 1
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -221.254841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.254841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.254841 (E_RNA)
where:
Base-Base interactions energy: -149.489
where: short stacking energy: -60.323
Base-Backbone interact. energy: -0.786
local terms energy: -70.980093
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -18.292
flat angles P-C4'-P energy: -10.994
tors. eta vs tors. theta energy: -14.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -226.784622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.784622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.784622 (E_RNA)
where:
Base-Base interactions energy: -152.851
where: short stacking energy: -66.085
Base-Backbone interact. energy: -0.099
local terms energy: -73.834867
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -16.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -220.996806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.996806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.996806 (E_RNA)
where:
Base-Base interactions energy: -149.309
where: short stacking energy: -67.140
Base-Backbone interact. energy: -0.028
local terms energy: -71.659439
where:
bonds (distance) C4'-P energy: -11.518
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -19.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -182.904582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.904582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.904582 (E_RNA)
where:
Base-Base interactions energy: -113.192
where: short stacking energy: -47.829
Base-Backbone interact. energy: -0.197
local terms energy: -69.515778
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -12.463
tors. eta vs tors. theta energy: -14.610
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: 9
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -188.909795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.909795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.909795 (E_RNA)
where:
Base-Base interactions energy: -123.244
where: short stacking energy: -57.885
Base-Backbone interact. energy: -0.810
local terms energy: -64.855154
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -9.990
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -17.679
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: 55
Temperature: 1.150000
Total energy: -169.089521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.089521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.089521 (E_RNA)
where:
Base-Base interactions energy: -99.894
where: short stacking energy: -50.645
Base-Backbone interact. energy: -0.095
local terms energy: -69.100198
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -9.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -199.730471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.730471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.730471 (E_RNA)
where:
Base-Base interactions energy: -127.717
where: short stacking energy: -58.089
Base-Backbone interact. energy: -0.241
local terms energy: -71.771735
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -14.698
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -17.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -186.304616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.304616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.304616 (E_RNA)
where:
Base-Base interactions energy: -124.227
where: short stacking energy: -55.947
Base-Backbone interact. energy: -0.007
local terms energy: -62.070722
where:
bonds (distance) C4'-P energy: -11.156
bonds (distance) P-C4' energy: -9.660
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -17.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -87.996562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.996562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.996562 (E_RNA)
where:
Base-Base interactions energy: -36.022
where: short stacking energy: -30.772
Base-Backbone interact. energy: -1.099
local terms energy: -50.875908
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -13.352
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: 0.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -70.125394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.125394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.125394 (E_RNA)
where:
Base-Base interactions energy: -28.036
where: short stacking energy: -19.690
Base-Backbone interact. energy: 0.640
local terms energy: -42.729645
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -7.472
tors. eta vs tors. theta energy: 4.767
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: 2
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -228.515032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.515032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.515032 (E_RNA)
where:
Base-Base interactions energy: -151.367
where: short stacking energy: -59.767
Base-Backbone interact. energy: -1.165
local terms energy: -75.983486
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -17.856
flat angles C4'-P-C4' energy: -17.493
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -14.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -228.810690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.810690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.810690 (E_RNA)
where:
Base-Base interactions energy: -155.869
where: short stacking energy: -70.430
Base-Backbone interact. energy: -0.080
local terms energy: -72.861471
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -13.107
tors. eta vs tors. theta energy: -15.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -222.401470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.401470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.401470 (E_RNA)
where:
Base-Base interactions energy: -151.006
where: short stacking energy: -70.137
Base-Backbone interact. energy: -0.442
local terms energy: -70.952531
where:
bonds (distance) C4'-P energy: -10.337
bonds (distance) P-C4' energy: -13.760
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -21.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -191.381512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.381512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.381512 (E_RNA)
where:
Base-Base interactions energy: -117.866
where: short stacking energy: -50.494
Base-Backbone interact. energy: -0.004
local terms energy: -73.511638
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -11.477
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -17.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -188.495056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.495056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.495056 (E_RNA)
where:
Base-Base interactions energy: -117.486
where: short stacking energy: -61.280
Base-Backbone interact. energy: -0.003
local terms energy: -71.005218
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -7.548
tors. eta vs tors. theta energy: -19.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -186.689283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.689283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.689283 (E_RNA)
where:
Base-Base interactions energy: -119.200
where: short stacking energy: -64.481
Base-Backbone interact. energy: 0.615
local terms energy: -68.104600
where:
bonds (distance) C4'-P energy: -10.974
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -13.172
tors. eta vs tors. theta energy: -14.980
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: 3
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -183.259091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.259091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.259091 (E_RNA)
where:
Base-Base interactions energy: -126.016
where: short stacking energy: -60.138
Base-Backbone interact. energy: -0.001
local terms energy: -57.242174
where:
bonds (distance) C4'-P energy: -9.867
bonds (distance) P-C4' energy: -12.663
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -7.001
tors. eta vs tors. theta energy: -14.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -175.975751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.975751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.975751 (E_RNA)
where:
Base-Base interactions energy: -109.558
where: short stacking energy: -58.854
Base-Backbone interact. energy: -0.235
local terms energy: -66.183310
where:
bonds (distance) C4'-P energy: -11.015
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -12.562
flat angles P-C4'-P energy: -10.660
tors. eta vs tors. theta energy: -17.780
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: 8
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -83.600900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.600900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.600900 (E_RNA)
where:
Base-Base interactions energy: -34.438
where: short stacking energy: -27.488
Base-Backbone interact. energy: 2.885
local terms energy: -52.047325
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -12.539
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -1.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -76.399784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.399784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.399784 (E_RNA)
where:
Base-Base interactions energy: -25.035
where: short stacking energy: -13.956
Base-Backbone interact. energy: -0.994
local terms energy: -50.370860
where:
bonds (distance) C4'-P energy: -12.913
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -6.784
tors. eta vs tors. theta energy: -0.727
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: 1, replica: 2
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -227.257485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.257485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.257485 (E_RNA)
where:
Base-Base interactions energy: -153.394
where: short stacking energy: -67.595
Base-Backbone interact. energy: -0.486
local terms energy: -73.377392
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -12.275
flat angles C4'-P-C4' energy: -16.610
flat angles P-C4'-P energy: -13.258
tors. eta vs tors. theta energy: -17.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -231.553471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.553471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.553471 (E_RNA)
where:
Base-Base interactions energy: -158.073
where: short stacking energy: -73.876
Base-Backbone interact. energy: -0.510
local terms energy: -72.970473
where:
bonds (distance) C4'-P energy: -10.227
bonds (distance) P-C4' energy: -12.378
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -14.115
tors. eta vs tors. theta energy: -21.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -224.325565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.325565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.325565 (E_RNA)
where:
Base-Base interactions energy: -159.883
where: short stacking energy: -65.262
Base-Backbone interact. energy: 0.587
local terms energy: -65.029514
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -12.583
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -13.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -190.887198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.887198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.887198 (E_RNA)
where:
Base-Base interactions energy: -120.437
where: short stacking energy: -64.312
Base-Backbone interact. energy: -0.005
local terms energy: -70.444841
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -17.711
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: 57
Temperature: 1.100000
Total energy: -169.529517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.529517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.529517 (E_RNA)
where:
Base-Base interactions energy: -112.088
where: short stacking energy: -47.661
Base-Backbone interact. energy: -0.238
local terms energy: -57.203958
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -8.179
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -9.402
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: 3
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -203.487466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.487466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.487466 (E_RNA)
where:
Base-Base interactions energy: -136.398
where: short stacking energy: -64.569
Base-Backbone interact. energy: -0.011
local terms energy: -67.078509
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -11.069
flat angles C4'-P-C4' energy: -9.986
flat angles P-C4'-P energy: -14.004
tors. eta vs tors. theta energy: -19.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -169.453126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.453126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.453126 (E_RNA)
where:
Base-Base interactions energy: -108.560
where: short stacking energy: -52.319
Base-Backbone interact. energy: -0.033
local terms energy: -60.860786
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -9.053
flat angles P-C4'-P energy: -12.144
tors. eta vs tors. theta energy: -11.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -176.525801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.525801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.525801 (E_RNA)
where:
Base-Base interactions energy: -118.569
where: short stacking energy: -55.585
Base-Backbone interact. energy: 0.852
local terms energy: -58.809041
where:
bonds (distance) C4'-P energy: -9.841
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -7.286
tors. eta vs tors. theta energy: -11.669
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: 8
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -75.304725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.304725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.304725 (E_RNA)
where:
Base-Base interactions energy: -23.112
where: short stacking energy: -21.800
Base-Backbone interact. energy: -0.427
local terms energy: -51.766141
where:
bonds (distance) C4'-P energy: -11.230
bonds (distance) P-C4' energy: -15.197
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -9.292
tors. eta vs tors. theta energy: -2.018
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: 5
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -81.214065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.214065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.214065 (E_RNA)
where:
Base-Base interactions energy: -29.479
where: short stacking energy: -29.479
Base-Backbone interact. energy: -0.152
local terms energy: -51.583260
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -9.367
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -6.279
tors. eta vs tors. theta energy: -7.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -227.013097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.013097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.013097 (E_RNA)
where:
Base-Base interactions energy: -146.803
where: short stacking energy: -71.920
Base-Backbone interact. energy: -0.329
local terms energy: -79.881921
where:
bonds (distance) C4'-P energy: -17.932
bonds (distance) P-C4' energy: -15.382
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -21.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -219.027282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.027282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.027282 (E_RNA)
where:
Base-Base interactions energy: -146.045
where: short stacking energy: -64.014
Base-Backbone interact. energy: -0.269
local terms energy: -72.713759
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -17.966
flat angles P-C4'-P energy: -12.131
tors. eta vs tors. theta energy: -15.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -215.125982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.125982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.125982 (E_RNA)
where:
Base-Base interactions energy: -145.628
where: short stacking energy: -59.260
Base-Backbone interact. energy: -0.278
local terms energy: -69.220403
where:
bonds (distance) C4'-P energy: -11.572
bonds (distance) P-C4' energy: -16.316
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -16.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -179.431466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.431466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.431466 (E_RNA)
where:
Base-Base interactions energy: -111.621
where: short stacking energy: -46.683
Base-Backbone interact. energy: -0.575
local terms energy: -67.235643
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -16.277
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -10.691
tors. eta vs tors. theta energy: -11.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -206.682752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.682752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.682752 (E_RNA)
where:
Base-Base interactions energy: -122.469
where: short stacking energy: -59.393
Base-Backbone interact. energy: -1.230
local terms energy: -82.983527
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -18.502
flat angles P-C4'-P energy: -13.443
tors. eta vs tors. theta energy: -21.613
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: 58
Temperature: 1.150000
Total energy: -178.574038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.574038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.574038 (E_RNA)
where:
Base-Base interactions energy: -110.846
where: short stacking energy: -53.511
Base-Backbone interact. energy: -0.067
local terms energy: -67.661444
where:
bonds (distance) C4'-P energy: -12.431
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -13.939
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: 7, replica: 7
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -189.856310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.856310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.856310 (E_RNA)
where:
Base-Base interactions energy: -122.384
where: short stacking energy: -60.783
Base-Backbone interact. energy: -0.337
local terms energy: -67.135700
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -11.567
flat angles C4'-P-C4' energy: -15.430
flat angles P-C4'-P energy: -10.319
tors. eta vs tors. theta energy: -15.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -160.370124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.370124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.370124 (E_RNA)
where:
Base-Base interactions energy: -108.167
where: short stacking energy: -49.098
Base-Backbone interact. energy: 2.652
local terms energy: -54.855020
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -10.842
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -6.377
tors. eta vs tors. theta energy: -10.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -88.325444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.325444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.325444 (E_RNA)
where:
Base-Base interactions energy: -39.141
where: short stacking energy: -28.125
Base-Backbone interact. energy: -0.085
local terms energy: -49.099084
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -13.600
flat angles C4'-P-C4' energy: -7.640
flat angles P-C4'-P energy: -4.195
tors. eta vs tors. theta energy: -8.416
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: 8
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -84.179148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.179148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.179148 (E_RNA)
where:
Base-Base interactions energy: -36.851
where: short stacking energy: -33.346
Base-Backbone interact. energy: -0.157
local terms energy: -47.170711
where:
bonds (distance) C4'-P energy: -10.526
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -3.332
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: 10
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -237.861317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.861317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.861317 (E_RNA)
where:
Base-Base interactions energy: -153.329
where: short stacking energy: -78.956
Base-Backbone interact. energy: -0.004
local terms energy: -84.527876
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -19.181
flat angles P-C4'-P energy: -14.020
tors. eta vs tors. theta energy: -22.078
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: 1
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -221.886647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.886647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.886647 (E_RNA)
where:
Base-Base interactions energy: -153.967
where: short stacking energy: -69.416
Base-Backbone interact. energy: 0.011
local terms energy: -67.930940
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -11.693
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -15.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -218.436545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.436545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.436545 (E_RNA)
where:
Base-Base interactions energy: -141.300
where: short stacking energy: -65.940
Base-Backbone interact. energy: -0.189
local terms energy: -76.947065
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -18.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -217.512839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.512839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.512839 (E_RNA)
where:
Base-Base interactions energy: -142.434
where: short stacking energy: -76.400
Base-Backbone interact. energy: -0.726
local terms energy: -74.353216
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -16.014
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: -19.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -183.406685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.406685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.406685 (E_RNA)
where:
Base-Base interactions energy: -105.891
where: short stacking energy: -55.919
Base-Backbone interact. energy: -0.251
local terms energy: -77.264706
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -19.399
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -12.718
tors. eta vs tors. theta energy: -17.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -205.913197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.913197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.913197 (E_RNA)
where:
Base-Base interactions energy: -138.397
where: short stacking energy: -65.433
Base-Backbone interact. energy: -0.032
local terms energy: -67.484490
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -16.469
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -7.282
tors. eta vs tors. theta energy: -15.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -174.888447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.888447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.888447 (E_RNA)
where:
Base-Base interactions energy: -111.363
where: short stacking energy: -53.371
Base-Backbone interact. energy: -0.085
local terms energy: -63.441050
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -11.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -92.550558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.550558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.550558 (E_RNA)
where:
Base-Base interactions energy: -38.670
where: short stacking energy: -34.979
Base-Backbone interact. energy: 1.792
local terms energy: -55.672526
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -11.754
flat angles C4'-P-C4' energy: -9.396
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -8.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -82.854400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.854400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.854400 (E_RNA)
where:
Base-Base interactions energy: -26.711
where: short stacking energy: -26.711
Base-Backbone interact. energy: -0.133
local terms energy: -56.010356
where:
bonds (distance) C4'-P energy: -8.671
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: -7.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -78.520808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.520808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.520808 (E_RNA)
where:
Base-Base interactions energy: -29.445
where: short stacking energy: -24.969
Base-Backbone interact. energy: -0.125
local terms energy: -48.950144
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -11.546
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -6.456
tors. eta vs tors. theta energy: -4.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -231.543028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.543028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.543028 (E_RNA)
where:
Base-Base interactions energy: -155.763
where: short stacking energy: -75.682
Base-Backbone interact. energy: -1.684
local terms energy: -74.095834
where:
bonds (distance) C4'-P energy: -14.307
bonds (distance) P-C4' energy: -14.334
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -18.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -221.266020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.266020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.266020 (E_RNA)
where:
Base-Base interactions energy: -157.896
where: short stacking energy: -70.139
Base-Backbone interact. energy: 2.757
local terms energy: -66.126643
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -16.012
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -6.947
tors. eta vs tors. theta energy: -15.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -220.490502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.490502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.490502 (E_RNA)
where:
Base-Base interactions energy: -136.376
where: short stacking energy: -72.853
Base-Backbone interact. energy: -1.429
local terms energy: -82.684991
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -16.156
flat angles P-C4'-P energy: -13.723
tors. eta vs tors. theta energy: -21.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -212.133447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.133447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.133447 (E_RNA)
where:
Base-Base interactions energy: -134.292
where: short stacking energy: -68.325
Base-Backbone interact. energy: -0.048
local terms energy: -77.793357
where:
bonds (distance) C4'-P energy: -11.653
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -11.781
tors. eta vs tors. theta energy: -23.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -204.829486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.829486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.829486 (E_RNA)
where:
Base-Base interactions energy: -129.631
where: short stacking energy: -64.832
Base-Backbone interact. energy: -0.739
local terms energy: -74.458980
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -16.074
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -20.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -173.785266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.785266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.785266 (E_RNA)
where:
Base-Base interactions energy: -110.537
where: short stacking energy: -47.487
Base-Backbone interact. energy: -0.462
local terms energy: -62.785771
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -10.745
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -11.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -168.648035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.648035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.648035 (E_RNA)
where:
Base-Base interactions energy: -103.818
where: short stacking energy: -46.358
Base-Backbone interact. energy: -0.019
local terms energy: -64.810200
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -10.973
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -6.724
tors. eta vs tors. theta energy: -17.749
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: 60
Temperature: 1.250000
Total energy: -90.167888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.167888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.167888 (E_RNA)
where:
Base-Base interactions energy: -37.074
where: short stacking energy: -25.238
Base-Backbone interact. energy: -0.031
local terms energy: -53.062747
where:
bonds (distance) C4'-P energy: -11.569
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -5.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -79.088682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.088682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.088682 (E_RNA)
where:
Base-Base interactions energy: -26.624
where: short stacking energy: -23.764
Base-Backbone interact. energy: -1.201
local terms energy: -51.262737
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -12.082
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -6.504
tors. eta vs tors. theta energy: -4.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -73.873553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.873553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.873553 (E_RNA)
where:
Base-Base interactions energy: -20.723
where: short stacking energy: -19.262
Base-Backbone interact. energy: 0.024
local terms energy: -53.174415
where:
bonds (distance) C4'-P energy: -11.397
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -1.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -226.240525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.240525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.240525 (E_RNA)
where:
Base-Base interactions energy: -144.947
where: short stacking energy: -75.637
Base-Backbone interact. energy: 0.106
local terms energy: -81.400138
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -22.579
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: 2
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -223.531107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.531107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.531107 (E_RNA)
where:
Base-Base interactions energy: -145.895
where: short stacking energy: -69.845
Base-Backbone interact. energy: -0.442
local terms energy: -77.193516
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -16.412
flat angles P-C4'-P energy: -11.651
tors. eta vs tors. theta energy: -20.618
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: 1
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -222.194796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.194796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.194796 (E_RNA)
where:
Base-Base interactions energy: -148.803
where: short stacking energy: -57.400
Base-Backbone interact. energy: -0.124
local terms energy: -73.267870
where:
bonds (distance) C4'-P energy: -15.544
bonds (distance) P-C4' energy: -13.877
flat angles C4'-P-C4' energy: -15.223
flat angles P-C4'-P energy: -13.003
tors. eta vs tors. theta energy: -15.621
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: 7
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -221.460422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.460422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.460422 (E_RNA)
where:
Base-Base interactions energy: -144.047
where: short stacking energy: -69.880
Base-Backbone interact. energy: -0.471
local terms energy: -76.942431
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -11.711
tors. eta vs tors. theta energy: -19.102
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: 5, replica: 3
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -214.873180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.873180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.873180 (E_RNA)
where:
Base-Base interactions energy: -148.996
where: short stacking energy: -73.275
Base-Backbone interact. energy: 0.208
local terms energy: -66.085530
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -3.772
flat angles C4'-P-C4' energy: -15.616
flat angles P-C4'-P energy: -12.975
tors. eta vs tors. theta energy: -19.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -181.524023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.524023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.524023 (E_RNA)
where:
Base-Base interactions energy: -116.448
where: short stacking energy: -50.228
Base-Backbone interact. energy: -0.126
local terms energy: -64.950066
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -12.836
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -11.209
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: 4
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -148.017259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.017259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.017259 (E_RNA)
where:
Base-Base interactions energy: -82.609
where: short stacking energy: -32.963
Base-Backbone interact. energy: -0.514
local terms energy: -64.893940
where:
bonds (distance) C4'-P energy: -15.749
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -11.553
flat angles P-C4'-P energy: -12.028
tors. eta vs tors. theta energy: -7.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -82.584607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.584607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.584607 (E_RNA)
where:
Base-Base interactions energy: -40.698
where: short stacking energy: -17.426
Base-Backbone interact. energy: -0.234
local terms energy: -41.652776
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -6.845
flat angles P-C4'-P energy: -11.903
tors. eta vs tors. theta energy: 1.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -82.278211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.278211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.278211 (E_RNA)
where:
Base-Base interactions energy: -29.832
where: short stacking energy: -29.640
Base-Backbone interact. energy: -0.264
local terms energy: -52.182126
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -12.421
flat angles P-C4'-P energy: -6.087
tors. eta vs tors. theta energy: -2.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -71.931848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.931848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.931848 (E_RNA)
where:
Base-Base interactions energy: -21.970
where: short stacking energy: -21.970
Base-Backbone interact. energy: -0.076
local terms energy: -49.885979
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -8.661
tors. eta vs tors. theta energy: -2.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -227.226888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.226888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.226888 (E_RNA)
where:
Base-Base interactions energy: -143.268
where: short stacking energy: -71.352
Base-Backbone interact. energy: -0.055
local terms energy: -83.903495
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -18.043
flat angles P-C4'-P energy: -13.920
tors. eta vs tors. theta energy: -19.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -230.068317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.068317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.068317 (E_RNA)
where:
Base-Base interactions energy: -161.315
where: short stacking energy: -77.675
Base-Backbone interact. energy: -0.280
local terms energy: -68.473627
where:
bonds (distance) C4'-P energy: -9.826
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -14.571
tors. eta vs tors. theta energy: -17.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -221.721873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.721873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.721873 (E_RNA)
where:
Base-Base interactions energy: -150.144
where: short stacking energy: -69.854
Base-Backbone interact. energy: -0.021
local terms energy: -71.556687
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -10.384
flat angles C4'-P-C4' energy: -16.889
flat angles P-C4'-P energy: -11.201
tors. eta vs tors. theta energy: -17.849
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: 62
Temperature: 1.050000
Total energy: -212.478539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.478539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.478539 (E_RNA)
where:
Base-Base interactions energy: -142.637
where: short stacking energy: -62.063
Base-Backbone interact. energy: -0.732
local terms energy: -69.109537
where:
bonds (distance) C4'-P energy: -11.560
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: -14.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -217.501878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.501878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.501878 (E_RNA)
where:
Base-Base interactions energy: -140.951
where: short stacking energy: -67.173
Base-Backbone interact. energy: -0.001
local terms energy: -76.550150
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -14.260
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: -20.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -146.986231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.986231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.986231 (E_RNA)
where:
Base-Base interactions energy: -83.779
where: short stacking energy: -45.116
Base-Backbone interact. energy: 0.623
local terms energy: -63.829572
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -9.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -162.374155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.374155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.374155 (E_RNA)
where:
Base-Base interactions energy: -96.188
where: short stacking energy: -41.128
Base-Backbone interact. energy: -0.601
local terms energy: -65.584426
where:
bonds (distance) C4'-P energy: -16.821
bonds (distance) P-C4' energy: -14.960
flat angles C4'-P-C4' energy: -9.394
flat angles P-C4'-P energy: -12.552
tors. eta vs tors. theta energy: -11.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -91.763128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.763128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.763128 (E_RNA)
where:
Base-Base interactions energy: -44.692
where: short stacking energy: -39.685
Base-Backbone interact. energy: -0.066
local terms energy: -47.005588
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -8.194
flat angles P-C4'-P energy: -4.311
tors. eta vs tors. theta energy: -3.238
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: 5
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -88.913124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.913124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.913124 (E_RNA)
where:
Base-Base interactions energy: -36.476
where: short stacking energy: -25.703
Base-Backbone interact. energy: -0.219
local terms energy: -52.218850
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -3.750
tors. eta vs tors. theta energy: -3.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -79.140570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.140570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.140570 (E_RNA)
where:
Base-Base interactions energy: -46.384
where: short stacking energy: -9.271
Base-Backbone interact. energy: 1.054
local terms energy: -33.810535
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -8.006
flat angles C4'-P-C4' energy: -6.349
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: 4.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -228.641371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.641371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.641371 (E_RNA)
where:
Base-Base interactions energy: -148.717
where: short stacking energy: -64.674
Base-Backbone interact. energy: -0.444
local terms energy: -79.480432
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -17.928
flat angles P-C4'-P energy: -12.463
tors. eta vs tors. theta energy: -19.744
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: 7
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -222.534256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.534256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.534256 (E_RNA)
where:
Base-Base interactions energy: -148.188
where: short stacking energy: -62.552
Base-Backbone interact. energy: 1.193
local terms energy: -75.538823
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -17.938
flat angles P-C4'-P energy: -12.040
tors. eta vs tors. theta energy: -15.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -217.462235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.462235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.462235 (E_RNA)
where:
Base-Base interactions energy: -157.277
where: short stacking energy: -72.014
Base-Backbone interact. energy: -0.449
local terms energy: -59.736232
where:
bonds (distance) C4'-P energy: -9.358
bonds (distance) P-C4' energy: -10.493
flat angles C4'-P-C4' energy: -10.977
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -18.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -224.206977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.206977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.206977 (E_RNA)
where:
Base-Base interactions energy: -147.299
where: short stacking energy: -66.589
Base-Backbone interact. energy: -0.675
local terms energy: -76.233454
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -12.790
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: 5, replica: 1
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -208.828998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.828998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.828998 (E_RNA)
where:
Base-Base interactions energy: -136.472
where: short stacking energy: -61.483
Base-Backbone interact. energy: -0.845
local terms energy: -71.511116
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -14.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -159.831379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.831379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.831379 (E_RNA)
where:
Base-Base interactions energy: -93.952
where: short stacking energy: -56.035
Base-Backbone interact. energy: -0.010
local terms energy: -65.869985
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -12.023
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -16.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -145.175399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.175399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.175399 (E_RNA)
where:
Base-Base interactions energy: -87.864
where: short stacking energy: -45.189
Base-Backbone interact. energy: -0.377
local terms energy: -56.934460
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -5.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -110.174805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.174805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.174805 (E_RNA)
where:
Base-Base interactions energy: -54.424
where: short stacking energy: -36.616
Base-Backbone interact. energy: -0.121
local terms energy: -55.629809
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -7.324
tors. eta vs tors. theta energy: -9.449
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: 63
Temperature: 1.300000
Total energy: -91.203863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.203863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.203863 (E_RNA)
where:
Base-Base interactions energy: -46.925
where: short stacking energy: -23.675
Base-Backbone interact. energy: -0.217
local terms energy: -44.061754
where:
bonds (distance) C4'-P energy: -8.259
bonds (distance) P-C4' energy: -15.682
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -4.743
tors. eta vs tors. theta energy: -2.765
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: 8
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -80.918046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.918046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.918046 (E_RNA)
where:
Base-Base interactions energy: -22.680
where: short stacking energy: -22.009
Base-Backbone interact. energy: -0.168
local terms energy: -58.070150
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -17.297
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -0.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -233.542191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.542191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.542191 (E_RNA)
where:
Base-Base interactions energy: -152.969
where: short stacking energy: -73.237
Base-Backbone interact. energy: -0.346
local terms energy: -80.227588
where:
bonds (distance) C4'-P energy: -14.178
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -18.647
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -21.800
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: 2, replica: 7
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -231.331809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.331809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.331809 (E_RNA)
where:
Base-Base interactions energy: -156.314
where: short stacking energy: -70.660
Base-Backbone interact. energy: -0.028
local terms energy: -74.989465
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -13.799
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -12.075
tors. eta vs tors. theta energy: -20.042
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: 3
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -223.486657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.486657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.486657 (E_RNA)
where:
Base-Base interactions energy: -146.321
where: short stacking energy: -74.289
Base-Backbone interact. energy: -0.097
local terms energy: -77.068388
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -11.988
flat angles C4'-P-C4' energy: -17.089
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -21.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -219.095304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.095304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.095304 (E_RNA)
where:
Base-Base interactions energy: -139.611
where: short stacking energy: -67.796
Base-Backbone interact. energy: -0.037
local terms energy: -79.447022
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -12.286
tors. eta vs tors. theta energy: -21.004
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: 64
Temperature: 1.100000
Total energy: -177.170285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.170285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.170285 (E_RNA)
where:
Base-Base interactions energy: -111.479
where: short stacking energy: -53.056
Base-Backbone interact. energy: -0.002
local terms energy: -65.689355
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -13.223
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: -16.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -208.605000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.605000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.605000 (E_RNA)
where:
Base-Base interactions energy: -141.434
where: short stacking energy: -66.762
Base-Backbone interact. energy: -0.224
local terms energy: -66.946935
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -12.435
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -16.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -161.983323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.983323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.983323 (E_RNA)
where:
Base-Base interactions energy: -110.570
where: short stacking energy: -47.581
Base-Backbone interact. energy: -0.133
local terms energy: -51.280221
where:
bonds (distance) C4'-P energy: -6.936
bonds (distance) P-C4' energy: -10.547
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -10.066
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: 8, replica: 5
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -81.785467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.785467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.785467 (E_RNA)
where:
Base-Base interactions energy: -37.063
where: short stacking energy: -28.355
Base-Backbone interact. energy: -0.200
local terms energy: -44.522481
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -7.784
flat angles P-C4'-P energy: -6.916
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: 9, replica: 8
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -84.573666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.573666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.573666 (E_RNA)
where:
Base-Base interactions energy: -35.791
where: short stacking energy: -31.504
Base-Backbone interact. energy: 2.348
local terms energy: -51.130684
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -4.624
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -7.995
tors. eta vs tors. theta energy: -7.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -71.854208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.854208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.854208 (E_RNA)
where:
Base-Base interactions energy: -25.660
where: short stacking energy: -23.351
Base-Backbone interact. energy: -0.148
local terms energy: -46.046992
where:
bonds (distance) C4'-P energy: -7.819
bonds (distance) P-C4' energy: -12.612
flat angles C4'-P-C4' energy: -14.095
flat angles P-C4'-P energy: -7.989
tors. eta vs tors. theta energy: -3.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -238.122968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.122968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.122968 (E_RNA)
where:
Base-Base interactions energy: -160.192
where: short stacking energy: -80.404
Base-Backbone interact. energy: -0.470
local terms energy: -77.461201
where:
bonds (distance) C4'-P energy: -11.585
bonds (distance) P-C4' energy: -17.972
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -8.976
tors. eta vs tors. theta energy: -23.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -228.191175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.191175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.191175 (E_RNA)
where:
Base-Base interactions energy: -155.422
where: short stacking energy: -77.022
Base-Backbone interact. energy: -0.187
local terms energy: -72.581683
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: -16.786
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: 65
Temperature: 1.000000
Total energy: -210.112911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.112911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.112911 (E_RNA)
where:
Base-Base interactions energy: -130.946
where: short stacking energy: -64.227
Base-Backbone interact. energy: -0.674
local terms energy: -78.492837
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -19.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -213.112001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.112001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.112001 (E_RNA)
where:
Base-Base interactions energy: -141.562
where: short stacking energy: -66.091
Base-Backbone interact. energy: -0.064
local terms energy: -71.485220
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -10.248
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: 5, replica: 4
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -169.432097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.432097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.432097 (E_RNA)
where:
Base-Base interactions energy: -103.341
where: short stacking energy: -57.542
Base-Backbone interact. energy: -0.001
local terms energy: -66.090490
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -11.595
tors. eta vs tors. theta energy: -12.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -210.930464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.930464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.930464 (E_RNA)
where:
Base-Base interactions energy: -146.053
where: short stacking energy: -65.398
Base-Backbone interact. energy: 1.098
local terms energy: -65.975138
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -15.217
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -13.726
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: 6
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -158.427384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.427384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.427384 (E_RNA)
where:
Base-Base interactions energy: -98.571
where: short stacking energy: -43.434
Base-Backbone interact. energy: -0.838
local terms energy: -59.018520
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -7.786
tors. eta vs tors. theta energy: -8.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -91.459659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.459659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.459659 (E_RNA)
where:
Base-Base interactions energy: -38.290
where: short stacking energy: -37.124
Base-Backbone interact. energy: 0.526
local terms energy: -53.695951
where:
bonds (distance) C4'-P energy: -15.146
bonds (distance) P-C4' energy: -12.034
flat angles C4'-P-C4' energy: -11.964
flat angles P-C4'-P energy: -5.737
tors. eta vs tors. theta energy: -8.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -76.547779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.547779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.547779 (E_RNA)
where:
Base-Base interactions energy: -33.406
where: short stacking energy: -28.943
Base-Backbone interact. energy: -0.937
local terms energy: -42.205054
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -11.337
flat angles P-C4'-P energy: -7.230
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: 10, replica: 9
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -93.085211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.085211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.085211 (E_RNA)
where:
Base-Base interactions energy: -45.291
where: short stacking energy: -34.085
Base-Backbone interact. energy: -0.101
local terms energy: -47.693519
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -7.335
flat angles P-C4'-P energy: -5.818
tors. eta vs tors. theta energy: -4.392
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: 66
Temperature: 0.900000
Total energy: -240.020006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.020006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.020006 (E_RNA)
where:
Base-Base interactions energy: -159.585
where: short stacking energy: -74.638
Base-Backbone interact. energy: -0.001
local terms energy: -80.434031
where:
bonds (distance) C4'-P energy: -17.490
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -12.763
tors. eta vs tors. theta energy: -20.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -228.063233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.063233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.063233 (E_RNA)
where:
Base-Base interactions energy: -151.822
where: short stacking energy: -71.377
Base-Backbone interact. energy: -0.594
local terms energy: -75.647217
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -15.302
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -22.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -222.151023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.151023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.151023 (E_RNA)
where:
Base-Base interactions energy: -146.148
where: short stacking energy: -73.062
Base-Backbone interact. energy: -0.076
local terms energy: -75.927275
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -12.042
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -18.900
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: 7
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -215.125399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.125399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.125399 (E_RNA)
where:
Base-Base interactions energy: -136.638
where: short stacking energy: -70.097
Base-Backbone interact. energy: -0.015
local terms energy: -78.471712
where:
bonds (distance) C4'-P energy: -14.296
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -13.958
tors. eta vs tors. theta energy: -20.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -217.999737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.999737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.999737 (E_RNA)
where:
Base-Base interactions energy: -148.688
where: short stacking energy: -60.044
Base-Backbone interact. energy: -0.118
local terms energy: -69.193000
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: -15.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -166.027543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.027543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.027543 (E_RNA)
where:
Base-Base interactions energy: -106.429
where: short stacking energy: -53.540
Base-Backbone interact. energy: -0.142
local terms energy: -59.457045
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -8.627
flat angles P-C4'-P energy: -11.881
tors. eta vs tors. theta energy: -10.530
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: 6
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -162.951068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.951068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.951068 (E_RNA)
where:
Base-Base interactions energy: -116.138
where: short stacking energy: -46.321
Base-Backbone interact. energy: 0.400
local terms energy: -47.213491
where:
bonds (distance) C4'-P energy: -10.667
bonds (distance) P-C4' energy: -12.704
flat angles C4'-P-C4' energy: -8.417
flat angles P-C4'-P energy: -8.241
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: 8, replica: 8
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -101.136593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.136593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.136593 (E_RNA)
where:
Base-Base interactions energy: -42.424
where: short stacking energy: -42.424
Base-Backbone interact. energy: -0.087
local terms energy: -58.626016
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -4.409
tors. eta vs tors. theta energy: -10.502
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: 66
Temperature: 1.300000
Total energy: -77.914277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.914277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.914277 (E_RNA)
where:
Base-Base interactions energy: -26.729
where: short stacking energy: -26.729
Base-Backbone interact. energy: -0.108
local terms energy: -51.076922
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -6.268
tors. eta vs tors. theta energy: -3.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -88.140928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.140928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.140928 (E_RNA)
where:
Base-Base interactions energy: -49.784
where: short stacking energy: -24.598
Base-Backbone interact. energy: -0.338
local terms energy: -38.018323
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -10.253
flat angles C4'-P-C4' energy: -4.750
flat angles P-C4'-P energy: -6.787
tors. eta vs tors. theta energy: -2.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -236.666474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.666474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.666474 (E_RNA)
where:
Base-Base interactions energy: -151.326
where: short stacking energy: -75.919
Base-Backbone interact. energy: -0.496
local terms energy: -84.844438
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -14.450
flat angles C4'-P-C4' energy: -16.451
flat angles P-C4'-P energy: -15.085
tors. eta vs tors. theta energy: -22.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -228.016284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.016284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.016284 (E_RNA)
where:
Base-Base interactions energy: -152.370
where: short stacking energy: -74.600
Base-Backbone interact. energy: -0.014
local terms energy: -75.631768
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -13.295
flat angles C4'-P-C4' energy: -18.249
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -18.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -222.637838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.637838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.637838 (E_RNA)
where:
Base-Base interactions energy: -154.340
where: short stacking energy: -77.379
Base-Backbone interact. energy: -0.022
local terms energy: -68.275564
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -12.475
flat angles C4'-P-C4' energy: -15.388
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -17.135
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: 4, replica: 7
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -196.244261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.244261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.244261 (E_RNA)
where:
Base-Base interactions energy: -125.768
where: short stacking energy: -62.591
Base-Backbone interact. energy: -0.811
local terms energy: -69.665766
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -15.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -212.428663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.428663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.428663 (E_RNA)
where:
Base-Base interactions energy: -146.368
where: short stacking energy: -63.006
Base-Backbone interact. energy: -0.126
local terms energy: -65.934517
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -17.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -194.716805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.716805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.716805 (E_RNA)
where:
Base-Base interactions energy: -129.904
where: short stacking energy: -70.388
Base-Backbone interact. energy: -0.010
local terms energy: -64.802999
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -11.809
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -7.705
tors. eta vs tors. theta energy: -16.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -152.244217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.244217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.244217 (E_RNA)
where:
Base-Base interactions energy: -95.198
where: short stacking energy: -54.867
Base-Backbone interact. energy: -0.384
local terms energy: -56.662011
where:
bonds (distance) C4'-P energy: -7.586
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: -10.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -90.766353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.766353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.766353 (E_RNA)
where:
Base-Base interactions energy: -40.226
where: short stacking energy: -38.566
Base-Backbone interact. energy: -0.161
local terms energy: -50.379335
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: -3.863
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: 8
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -86.877082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.877082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.877082 (E_RNA)
where:
Base-Base interactions energy: -34.140
where: short stacking energy: -33.324
Base-Backbone interact. energy: -0.022
local terms energy: -52.714720
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -10.673
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: -3.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -80.624630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.624630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.624630 (E_RNA)
where:
Base-Base interactions energy: -41.885
where: short stacking energy: -34.719
Base-Backbone interact. energy: -0.744
local terms energy: -37.995627
where:
bonds (distance) C4'-P energy: -11.278
bonds (distance) P-C4' energy: -10.769
flat angles C4'-P-C4' energy: -12.665
flat angles P-C4'-P energy: 0.702
tors. eta vs tors. theta energy: -3.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -228.291814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.291814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.291814 (E_RNA)
where:
Base-Base interactions energy: -152.654
where: short stacking energy: -74.456
Base-Backbone interact. energy: -0.246
local terms energy: -75.391903
where:
bonds (distance) C4'-P energy: -12.034
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -16.693
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -23.465
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: 2
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -230.387104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.387104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.387104 (E_RNA)
where:
Base-Base interactions energy: -151.321
where: short stacking energy: -78.740
Base-Backbone interact. energy: -0.239
local terms energy: -78.827094
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -13.316
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -13.112
tors. eta vs tors. theta energy: -18.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -212.967709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.967709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.967709 (E_RNA)
where:
Base-Base interactions energy: -132.693
where: short stacking energy: -62.255
Base-Backbone interact. energy: -0.486
local terms energy: -79.788727
where:
bonds (distance) C4'-P energy: -15.011
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -13.738
tors. eta vs tors. theta energy: -19.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -212.634757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.634757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.634757 (E_RNA)
where:
Base-Base interactions energy: -139.460
where: short stacking energy: -70.486
Base-Backbone interact. energy: -0.848
local terms energy: -72.326785
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -9.126
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: 5, replica: 4
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -183.696395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.696395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.696395 (E_RNA)
where:
Base-Base interactions energy: -111.153
where: short stacking energy: -54.593
Base-Backbone interact. energy: -1.480
local terms energy: -71.062843
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -11.778
flat angles C4'-P-C4' energy: -17.446
flat angles P-C4'-P energy: -12.511
tors. eta vs tors. theta energy: -17.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -201.060081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.060081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.060081 (E_RNA)
where:
Base-Base interactions energy: -126.354
where: short stacking energy: -52.013
Base-Backbone interact. energy: -0.134
local terms energy: -74.571285
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -14.780
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -13.057
tors. eta vs tors. theta energy: -17.023
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: 6
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -153.776642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.776642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.776642 (E_RNA)
where:
Base-Base interactions energy: -97.192
where: short stacking energy: -42.904
Base-Backbone interact. energy: -1.128
local terms energy: -55.456771
where:
bonds (distance) C4'-P energy: -9.702
bonds (distance) P-C4' energy: -11.222
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -10.998
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: 8, replica: 9
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -79.721079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.721079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.721079 (E_RNA)
where:
Base-Base interactions energy: -31.105
where: short stacking energy: -25.743
Base-Backbone interact. energy: -0.696
local terms energy: -47.919962
where:
bonds (distance) C4'-P energy: -14.369
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -14.545
flat angles P-C4'-P energy: -3.872
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: 9, replica: 5
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -101.183294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.183294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.183294 (E_RNA)
where:
Base-Base interactions energy: -49.801
where: short stacking energy: -35.612
Base-Backbone interact. energy: -0.029
local terms energy: -51.353532
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -11.899
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -7.365
tors. eta vs tors. theta energy: -5.782
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: 8
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -80.289293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.289293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.289293 (E_RNA)
where:
Base-Base interactions energy: -31.315
where: short stacking energy: -31.315
Base-Backbone interact. energy: -0.044
local terms energy: -48.930686
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -12.871
flat angles C4'-P-C4' energy: -7.719
flat angles P-C4'-P energy: -6.761
tors. eta vs tors. theta energy: -7.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -232.591372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.591372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.591372 (E_RNA)
where:
Base-Base interactions energy: -157.341
where: short stacking energy: -77.684
Base-Backbone interact. energy: -0.165
local terms energy: -75.086178
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -22.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -225.326456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.326456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.326456 (E_RNA)
where:
Base-Base interactions energy: -150.003
where: short stacking energy: -69.912
Base-Backbone interact. energy: -0.040
local terms energy: -75.283393
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -7.679
tors. eta vs tors. theta energy: -20.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -218.818987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.818987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.818987 (E_RNA)
where:
Base-Base interactions energy: -149.255
where: short stacking energy: -78.711
Base-Backbone interact. energy: -0.698
local terms energy: -68.865684
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -14.295
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -18.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -218.282681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.282681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.282681 (E_RNA)
where:
Base-Base interactions energy: -143.213
where: short stacking energy: -58.401
Base-Backbone interact. energy: -0.289
local terms energy: -74.781341
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -18.531
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: 4
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -197.173721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.173721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.173721 (E_RNA)
where:
Base-Base interactions energy: -124.446
where: short stacking energy: -57.898
Base-Backbone interact. energy: -0.108
local terms energy: -72.620103
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -14.492
flat angles C4'-P-C4' energy: -18.321
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -17.891
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: 69
Temperature: 1.150000
Total energy: -158.308182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.308182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.308182 (E_RNA)
where:
Base-Base interactions energy: -93.166
where: short stacking energy: -53.693
Base-Backbone interact. energy: -0.084
local terms energy: -65.058669
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -12.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -186.168635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.168635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.168635 (E_RNA)
where:
Base-Base interactions energy: -132.635
where: short stacking energy: -60.832
Base-Backbone interact. energy: 1.172
local terms energy: -54.705362
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -5.366
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -12.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -85.544837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.544837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.544837 (E_RNA)
where:
Base-Base interactions energy: -40.163
where: short stacking energy: -40.163
Base-Backbone interact. energy: -0.058
local terms energy: -45.323807
where:
bonds (distance) C4'-P energy: -10.250
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -4.844
flat angles P-C4'-P energy: -6.308
tors. eta vs tors. theta energy: -9.284
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: 9
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -93.842164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.842164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.842164 (E_RNA)
where:
Base-Base interactions energy: -34.668
where: short stacking energy: -34.417
Base-Backbone interact. energy: -1.456
local terms energy: -57.719033
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -5.317
tors. eta vs tors. theta energy: -8.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -88.750657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.750657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.750657 (E_RNA)
where:
Base-Base interactions energy: -34.516
where: short stacking energy: -32.440
Base-Backbone interact. energy: -0.081
local terms energy: -54.153672
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -7.933
flat angles P-C4'-P energy: -2.811
tors. eta vs tors. theta energy: -10.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -236.681265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.681265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.681265 (E_RNA)
where:
Base-Base interactions energy: -150.678
where: short stacking energy: -74.553
Base-Backbone interact. energy: -0.908
local terms energy: -85.094730
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -18.793
flat angles P-C4'-P energy: -14.289
tors. eta vs tors. theta energy: -19.299
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: 3
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -229.938170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.938170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.938170 (E_RNA)
where:
Base-Base interactions energy: -151.181
where: short stacking energy: -78.128
Base-Backbone interact. energy: -0.467
local terms energy: -78.290049
where:
bonds (distance) C4'-P energy: -18.428
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -11.256
tors. eta vs tors. theta energy: -19.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -223.173259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.173259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.173259 (E_RNA)
where:
Base-Base interactions energy: -148.560
where: short stacking energy: -75.957
Base-Backbone interact. energy: -0.290
local terms energy: -74.323529
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -19.054
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: 7
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -217.035390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.035390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.035390 (E_RNA)
where:
Base-Base interactions energy: -145.698
where: short stacking energy: -64.069
Base-Backbone interact. energy: -0.053
local terms energy: -71.284085
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -20.249
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: 70
Temperature: 1.100000
Total energy: -151.195497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.195497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.195497 (E_RNA)
where:
Base-Base interactions energy: -90.271
where: short stacking energy: -52.993
Base-Backbone interact. energy: -0.005
local terms energy: -60.919833
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -9.065
flat angles P-C4'-P energy: -11.686
tors. eta vs tors. theta energy: -12.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -180.558535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.558535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.558535 (E_RNA)
where:
Base-Base interactions energy: -113.835
where: short stacking energy: -59.273
Base-Backbone interact. energy: -0.333
local terms energy: -66.391219
where:
bonds (distance) C4'-P energy: -10.360
bonds (distance) P-C4' energy: -17.971
flat angles C4'-P-C4' energy: -11.043
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -18.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -177.346563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.346563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.346563 (E_RNA)
where:
Base-Base interactions energy: -124.222
where: short stacking energy: -44.779
Base-Backbone interact. energy: -0.280
local terms energy: -52.844062
where:
bonds (distance) C4'-P energy: -9.570
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -10.563
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -5.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -91.609950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.609950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.609950 (E_RNA)
where:
Base-Base interactions energy: -30.846
where: short stacking energy: -30.102
Base-Backbone interact. energy: -0.051
local terms energy: -60.713253
where:
bonds (distance) C4'-P energy: -16.331
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -8.470
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -9.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -104.138822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.138822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.138822 (E_RNA)
where:
Base-Base interactions energy: -53.508
where: short stacking energy: -30.199
Base-Backbone interact. energy: -0.164
local terms energy: -50.467184
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -9.968
flat angles P-C4'-P energy: -8.685
tors. eta vs tors. theta energy: -6.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -82.341588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.341588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.341588 (E_RNA)
where:
Base-Base interactions energy: -34.134
where: short stacking energy: -34.134
Base-Backbone interact. energy: 1.379
local terms energy: -49.586909
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -10.715
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -7.107
tors. eta vs tors. theta energy: -3.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -227.742671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.742671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.742671 (E_RNA)
where:
Base-Base interactions energy: -152.416
where: short stacking energy: -65.389
Base-Backbone interact. energy: -0.528
local terms energy: -74.798074
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -13.977
flat angles C4'-P-C4' energy: -17.263
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -18.923
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: 10
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -208.106499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.106499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.106499 (E_RNA)
where:
Base-Base interactions energy: -137.629
where: short stacking energy: -71.271
Base-Backbone interact. energy: -0.060
local terms energy: -70.418270
where:
bonds (distance) C4'-P energy: -11.276
bonds (distance) P-C4' energy: -11.011
flat angles C4'-P-C4' energy: -18.128
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -18.369
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: 3
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -220.660427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.660427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.660427 (E_RNA)
where:
Base-Base interactions energy: -139.975
where: short stacking energy: -72.223
Base-Backbone interact. energy: -0.650
local terms energy: -80.035318
where:
bonds (distance) C4'-P energy: -11.766
bonds (distance) P-C4' energy: -13.957
flat angles C4'-P-C4' energy: -18.667
flat angles P-C4'-P energy: -13.152
tors. eta vs tors. theta energy: -22.493
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: 71
Temperature: 1.050000
Total energy: -210.897624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.897624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.897624 (E_RNA)
where:
Base-Base interactions energy: -137.696
where: short stacking energy: -65.898
Base-Backbone interact. energy: -0.001
local terms energy: -73.200729
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -16.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -183.951960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.951960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.951960 (E_RNA)
where:
Base-Base interactions energy: -120.370
where: short stacking energy: -55.984
Base-Backbone interact. energy: -0.268
local terms energy: -63.314355
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -12.918
tors. eta vs tors. theta energy: -9.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -163.909101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.909101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.909101 (E_RNA)
where:
Base-Base interactions energy: -107.953
where: short stacking energy: -53.756
Base-Backbone interact. energy: -0.165
local terms energy: -55.790721
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -10.796
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -7.596
tors. eta vs tors. theta energy: -8.273
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: 71
Temperature: 1.200000
Total energy: -183.333686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.333686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.333686 (E_RNA)
where:
Base-Base interactions energy: -114.103
where: short stacking energy: -53.643
Base-Backbone interact. energy: -0.419
local terms energy: -68.812135
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -11.948
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -18.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -124.595499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.595499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.595499 (E_RNA)
where:
Base-Base interactions energy: -67.032
where: short stacking energy: -34.656
Base-Backbone interact. energy: -0.159
local terms energy: -57.403925
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -5.701
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: 9, replica: 5
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -81.488616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.488616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.488616 (E_RNA)
where:
Base-Base interactions energy: -35.158
where: short stacking energy: -33.540
Base-Backbone interact. energy: -0.014
local terms energy: -46.316353
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -11.566
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -1.820
tors. eta vs tors. theta energy: -4.552
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: 10, replica: 9
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -73.241072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.241072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.241072 (E_RNA)
where:
Base-Base interactions energy: -32.025
where: short stacking energy: -23.390
Base-Backbone interact. energy: -0.153
local terms energy: -41.063241
where:
bonds (distance) C4'-P energy: -9.022
bonds (distance) P-C4' energy: -15.912
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -5.906
tors. eta vs tors. theta energy: 2.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -225.075646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.075646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.075646 (E_RNA)
where:
Base-Base interactions energy: -151.748
where: short stacking energy: -68.269
Base-Backbone interact. energy: -0.012
local terms energy: -73.315106
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -15.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -222.492796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.492796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.492796 (E_RNA)
where:
Base-Base interactions energy: -154.049
where: short stacking energy: -74.164
Base-Backbone interact. energy: -0.487
local terms energy: -67.956831
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -18.104
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: 72
Temperature: 1.000000
Total energy: -219.003254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.003254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.003254 (E_RNA)
where:
Base-Base interactions energy: -142.756
where: short stacking energy: -70.404
Base-Backbone interact. energy: -1.143
local terms energy: -75.104222
where:
bonds (distance) C4'-P energy: -10.323
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -17.725
flat angles P-C4'-P energy: -7.985
tors. eta vs tors. theta energy: -21.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -217.884122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.884122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.884122 (E_RNA)
where:
Base-Base interactions energy: -136.668
where: short stacking energy: -65.099
Base-Backbone interact. energy: -0.772
local terms energy: -80.444311
where:
bonds (distance) C4'-P energy: -16.499
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -12.372
tors. eta vs tors. theta energy: -19.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -182.949140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.949140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.949140 (E_RNA)
where:
Base-Base interactions energy: -135.995
where: short stacking energy: -61.701
Base-Backbone interact. energy: -0.108
local terms energy: -46.846465
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -9.964
flat angles C4'-P-C4' energy: -10.127
flat angles P-C4'-P energy: -3.761
tors. eta vs tors. theta energy: -9.646
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: 6, replica: 6
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -163.923925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.923925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.923925 (E_RNA)
where:
Base-Base interactions energy: -94.800
where: short stacking energy: -54.787
Base-Backbone interact. energy: -0.092
local terms energy: -69.031723
where:
bonds (distance) C4'-P energy: -17.158
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -11.861
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: 4
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -155.884717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.884717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.884717 (E_RNA)
where:
Base-Base interactions energy: -99.892
where: short stacking energy: -47.836
Base-Backbone interact. energy: -0.344
local terms energy: -55.648503
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -11.892
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -11.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -155.591809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.591809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.591809 (E_RNA)
where:
Base-Base interactions energy: -104.613
where: short stacking energy: -46.282
Base-Backbone interact. energy: -0.443
local terms energy: -50.535794
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -6.206
tors. eta vs tors. theta energy: -7.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -84.766276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.766276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.766276 (E_RNA)
where:
Base-Base interactions energy: -35.047
where: short stacking energy: -19.652
Base-Backbone interact. energy: -0.334
local terms energy: -49.385342
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -11.930
flat angles P-C4'-P energy: -6.139
tors. eta vs tors. theta energy: -1.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -72.340021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.340021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.340021 (E_RNA)
where:
Base-Base interactions energy: -22.464
where: short stacking energy: -22.464
Base-Backbone interact. energy: 0.156
local terms energy: -50.031639
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -10.950
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -2.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -231.953638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.953638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.953638 (E_RNA)
where:
Base-Base interactions energy: -150.608
where: short stacking energy: -75.757
Base-Backbone interact. energy: -0.003
local terms energy: -81.343205
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -14.842
tors. eta vs tors. theta energy: -22.068
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: 7
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -226.511607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.511607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.511607 (E_RNA)
where:
Base-Base interactions energy: -155.060
where: short stacking energy: -67.534
Base-Backbone interact. energy: 0.538
local terms energy: -71.990013
where:
bonds (distance) C4'-P energy: -10.844
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -12.588
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -22.654
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: 10
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -208.221777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.221777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.221777 (E_RNA)
where:
Base-Base interactions energy: -131.011
where: short stacking energy: -61.176
Base-Backbone interact. energy: -0.306
local terms energy: -76.905129
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -16.487
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -15.685
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: 3
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -225.711240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.711240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.711240 (E_RNA)
where:
Base-Base interactions energy: -149.269
where: short stacking energy: -67.107
Base-Backbone interact. energy: -0.516
local terms energy: -75.926474
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -14.780
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -13.116
tors. eta vs tors. theta energy: -18.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -191.386747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.386747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.386747 (E_RNA)
where:
Base-Base interactions energy: -132.260
where: short stacking energy: -43.408
Base-Backbone interact. energy: -0.071
local terms energy: -59.055625
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -11.450
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -7.029
tors. eta vs tors. theta energy: -12.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -184.658657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.658657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.658657 (E_RNA)
where:
Base-Base interactions energy: -123.445
where: short stacking energy: -60.881
Base-Backbone interact. energy: -0.016
local terms energy: -61.198346
where:
bonds (distance) C4'-P energy: -11.158
bonds (distance) P-C4' energy: -11.828
flat angles C4'-P-C4' energy: -11.821
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -15.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -167.946707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.946707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.946707 (E_RNA)
where:
Base-Base interactions energy: -104.316
where: short stacking energy: -48.390
Base-Backbone interact. energy: -0.883
local terms energy: -62.747674
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -8.904
tors. eta vs tors. theta energy: -12.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -163.622521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.622521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.622521 (E_RNA)
where:
Base-Base interactions energy: -107.519
where: short stacking energy: -58.174
Base-Backbone interact. energy: -0.102
local terms energy: -56.001957
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -15.852
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -3.784
tors. eta vs tors. theta energy: -10.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -84.982179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.982179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.982179 (E_RNA)
where:
Base-Base interactions energy: -40.934
where: short stacking energy: -29.970
Base-Backbone interact. energy: -1.396
local terms energy: -42.651762
where:
bonds (distance) C4'-P energy: -16.279
bonds (distance) P-C4' energy: -7.950
flat angles C4'-P-C4' energy: -10.898
flat angles P-C4'-P energy: -5.027
tors. eta vs tors. theta energy: -2.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -81.388783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.388783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.388783 (E_RNA)
where:
Base-Base interactions energy: -27.430
where: short stacking energy: -26.877
Base-Backbone interact. energy: -0.250
local terms energy: -53.708832
where:
bonds (distance) C4'-P energy: -6.472
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -12.405
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: -9.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -228.033442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.033442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.033442 (E_RNA)
where:
Base-Base interactions energy: -149.705
where: short stacking energy: -71.787
Base-Backbone interact. energy: -0.082
local terms energy: -78.245910
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -15.674
flat angles P-C4'-P energy: -12.097
tors. eta vs tors. theta energy: -19.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -225.206336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.206336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.206336 (E_RNA)
where:
Base-Base interactions energy: -155.674
where: short stacking energy: -74.711
Base-Backbone interact. energy: -0.046
local terms energy: -69.486323
where:
bonds (distance) C4'-P energy: -9.715
bonds (distance) P-C4' energy: -13.829
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -21.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -229.712435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.712435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.712435 (E_RNA)
where:
Base-Base interactions energy: -151.151
where: short stacking energy: -75.159
Base-Backbone interact. energy: -0.010
local terms energy: -78.551561
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -17.274
flat angles P-C4'-P energy: -10.805
tors. eta vs tors. theta energy: -19.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -212.806649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.806649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.806649 (E_RNA)
where:
Base-Base interactions energy: -137.647
where: short stacking energy: -66.966
Base-Backbone interact. energy: -0.045
local terms energy: -75.114662
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -15.483
flat angles P-C4'-P energy: -11.537
tors. eta vs tors. theta energy: -20.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -208.690053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.690053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.690053 (E_RNA)
where:
Base-Base interactions energy: -146.294
where: short stacking energy: -60.067
Base-Backbone interact. energy: -0.233
local terms energy: -62.162870
where:
bonds (distance) C4'-P energy: -11.063
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -5.726
tors. eta vs tors. theta energy: -14.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -188.203232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.203232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.203232 (E_RNA)
where:
Base-Base interactions energy: -120.313
where: short stacking energy: -60.343
Base-Backbone interact. energy: -0.011
local terms energy: -67.879807
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -9.004
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: 7, replica: 8
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -135.055222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.055222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.055222 (E_RNA)
where:
Base-Base interactions energy: -85.295
where: short stacking energy: -44.548
Base-Backbone interact. energy: 1.334
local terms energy: -51.094355
where:
bonds (distance) C4'-P energy: -8.117
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -7.109
tors. eta vs tors. theta energy: -7.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -139.533683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.533683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.533683 (E_RNA)
where:
Base-Base interactions energy: -90.736
where: short stacking energy: -34.845
Base-Backbone interact. energy: -0.188
local terms energy: -48.609794
where:
bonds (distance) C4'-P energy: -13.082
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -11.148
flat angles P-C4'-P energy: -6.011
tors. eta vs tors. theta energy: -3.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -88.175365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.175365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.175365 (E_RNA)
where:
Base-Base interactions energy: -36.517
where: short stacking energy: -30.938
Base-Backbone interact. energy: 0.185
local terms energy: -51.844005
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -9.362
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -4.992
tors. eta vs tors. theta energy: -9.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -84.721174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.721174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.721174 (E_RNA)
where:
Base-Base interactions energy: -30.594
where: short stacking energy: -28.307
Base-Backbone interact. energy: 2.793
local terms energy: -56.919524
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -3.513
tors. eta vs tors. theta energy: -9.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -221.011765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.011765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.011765 (E_RNA)
where:
Base-Base interactions energy: -146.952
where: short stacking energy: -69.093
Base-Backbone interact. energy: -0.146
local terms energy: -73.913599
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -12.837
tors. eta vs tors. theta energy: -14.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -232.071957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.071957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.071957 (E_RNA)
where:
Base-Base interactions energy: -156.333
where: short stacking energy: -75.724
Base-Backbone interact. energy: 0.161
local terms energy: -75.900073
where:
bonds (distance) C4'-P energy: -6.661
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -18.601
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: -21.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -225.852868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.852868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.852868 (E_RNA)
where:
Base-Base interactions energy: -151.244
where: short stacking energy: -68.637
Base-Backbone interact. energy: -0.453
local terms energy: -74.156577
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -21.299
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: 1
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -203.437577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.437577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.437577 (E_RNA)
where:
Base-Base interactions energy: -145.998
where: short stacking energy: -61.141
Base-Backbone interact. energy: -0.487
local terms energy: -56.953013
where:
bonds (distance) C4'-P energy: -9.690
bonds (distance) P-C4' energy: -13.249
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -6.575
tors. eta vs tors. theta energy: -13.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -206.587076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.587076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.587076 (E_RNA)
where:
Base-Base interactions energy: -134.553
where: short stacking energy: -75.368
Base-Backbone interact. energy: -0.081
local terms energy: -71.952652
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -6.868
tors. eta vs tors. theta energy: -19.592
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: 4
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -174.599283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.599283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.599283 (E_RNA)
where:
Base-Base interactions energy: -110.620
where: short stacking energy: -55.369
Base-Backbone interact. energy: -0.783
local terms energy: -63.196221
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -7.160
tors. eta vs tors. theta energy: -13.217
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: 8
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -157.155813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.155813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.155813 (E_RNA)
where:
Base-Base interactions energy: -88.323
where: short stacking energy: -41.551
Base-Backbone interact. energy: -0.117
local terms energy: -68.715926
where:
bonds (distance) C4'-P energy: -14.619
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -12.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -143.400632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.400632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.400632 (E_RNA)
where:
Base-Base interactions energy: -84.931
where: short stacking energy: -45.651
Base-Backbone interact. energy: -0.153
local terms energy: -58.316508
where:
bonds (distance) C4'-P energy: -11.250
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -11.799
tors. eta vs tors. theta energy: -6.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -82.895795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.895795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.895795 (E_RNA)
where:
Base-Base interactions energy: -34.186
where: short stacking energy: -23.011
Base-Backbone interact. energy: -0.232
local terms energy: -48.477589
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -12.778
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: 0.666
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: 75
Temperature: 1.350000
Total energy: -77.215890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.215890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.215890 (E_RNA)
where:
Base-Base interactions energy: -28.560
where: short stacking energy: -25.481
Base-Backbone interact. energy: -0.141
local terms energy: -48.514483
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -10.682
flat angles P-C4'-P energy: -6.996
tors. eta vs tors. theta energy: -2.508
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: 1, replica: 3
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -220.054388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.054388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.054388 (E_RNA)
where:
Base-Base interactions energy: -138.583
where: short stacking energy: -66.448
Base-Backbone interact. energy: -0.004
local terms energy: -81.467644
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -17.137
flat angles P-C4'-P energy: -13.356
tors. eta vs tors. theta energy: -18.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -219.044858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.044858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.044858 (E_RNA)
where:
Base-Base interactions energy: -147.894
where: short stacking energy: -63.103
Base-Backbone interact. energy: -0.129
local terms energy: -71.022482
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -11.628
flat angles P-C4'-P energy: -12.401
tors. eta vs tors. theta energy: -15.642
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: 2
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -212.766481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.766481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.766481 (E_RNA)
where:
Base-Base interactions energy: -142.620
where: short stacking energy: -72.356
Base-Backbone interact. energy: -0.001
local terms energy: -70.145207
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -12.711
flat angles C4'-P-C4' energy: -14.472
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -20.110
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: 1
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -206.489422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.489422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.489422 (E_RNA)
where:
Base-Base interactions energy: -138.639
where: short stacking energy: -53.561
Base-Backbone interact. energy: -0.204
local terms energy: -67.646591
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -11.405
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -12.599
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: 4
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -192.033405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.033405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.033405 (E_RNA)
where:
Base-Base interactions energy: -120.580
where: short stacking energy: -60.895
Base-Backbone interact. energy: -1.105
local terms energy: -70.347983
where:
bonds (distance) C4'-P energy: -10.348
bonds (distance) P-C4' energy: -12.097
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -20.579
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: 10
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -203.260106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.260106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.260106 (E_RNA)
where:
Base-Base interactions energy: -136.290
where: short stacking energy: -64.779
Base-Backbone interact. energy: 0.015
local terms energy: -66.985654
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -15.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -158.497599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.497599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.497599 (E_RNA)
where:
Base-Base interactions energy: -92.554
where: short stacking energy: -42.253
Base-Backbone interact. energy: -0.533
local terms energy: -65.409940
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -9.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -173.310866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.310866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.310866 (E_RNA)
where:
Base-Base interactions energy: -108.833
where: short stacking energy: -58.820
Base-Backbone interact. energy: 0.138
local terms energy: -64.615368
where:
bonds (distance) C4'-P energy: -11.201
bonds (distance) P-C4' energy: -14.434
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: -16.199
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: 9, replica: 9
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -99.942956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.942956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.942956 (E_RNA)
where:
Base-Base interactions energy: -49.525
where: short stacking energy: -31.009
Base-Backbone interact. energy: -0.228
local terms energy: -50.190007
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -11.627
flat angles C4'-P-C4' energy: -11.568
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -2.158
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: 10, replica: 5
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -88.371119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.371119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.371119 (E_RNA)
where:
Base-Base interactions energy: -34.939
where: short stacking energy: -27.436
Base-Backbone interact. energy: -0.128
local terms energy: -53.304420
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -3.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -226.409004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.409004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.409004 (E_RNA)
where:
Base-Base interactions energy: -152.613
where: short stacking energy: -73.902
Base-Backbone interact. energy: -0.048
local terms energy: -73.747681
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -21.841
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: 2, replica: 2
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -223.407428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.407428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.407428 (E_RNA)
where:
Base-Base interactions energy: -150.623
where: short stacking energy: -67.478
Base-Backbone interact. energy: -0.090
local terms energy: -72.695046
where:
bonds (distance) C4'-P energy: -11.763
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: -18.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -220.237080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.237080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.237080 (E_RNA)
where:
Base-Base interactions energy: -144.547
where: short stacking energy: -70.535
Base-Backbone interact. energy: 0.291
local terms energy: -75.980979
where:
bonds (distance) C4'-P energy: -9.646
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -13.983
tors. eta vs tors. theta energy: -20.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -210.448782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.448782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.448782 (E_RNA)
where:
Base-Base interactions energy: -148.317
where: short stacking energy: -54.899
Base-Backbone interact. energy: -0.390
local terms energy: -61.741472
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -10.892
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -13.333
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: 4
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -189.736378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.736378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.736378 (E_RNA)
where:
Base-Base interactions energy: -116.305
where: short stacking energy: -60.163
Base-Backbone interact. energy: -0.002
local terms energy: -73.429911
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: -19.565
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: 10
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -190.504949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.504949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.504949 (E_RNA)
where:
Base-Base interactions energy: -126.853
where: short stacking energy: -64.494
Base-Backbone interact. energy: -0.134
local terms energy: -63.517544
where:
bonds (distance) C4'-P energy: -9.748
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -13.228
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: 6
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -151.193905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.193905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.193905 (E_RNA)
where:
Base-Base interactions energy: -92.309
where: short stacking energy: -45.162
Base-Backbone interact. energy: -0.487
local terms energy: -58.398030
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -17.640
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -5.475
tors. eta vs tors. theta energy: -9.973
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: 8
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -138.886943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.886943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.886943 (E_RNA)
where:
Base-Base interactions energy: -77.925
where: short stacking energy: -37.204
Base-Backbone interact. energy: -0.245
local terms energy: -60.716370
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -14.254
flat angles P-C4'-P energy: -5.235
tors. eta vs tors. theta energy: -9.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -77.535491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.535491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.535491 (E_RNA)
where:
Base-Base interactions energy: -29.965
where: short stacking energy: -15.300
Base-Backbone interact. energy: -0.273
local terms energy: -47.296876
where:
bonds (distance) C4'-P energy: -10.793
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -6.756
tors. eta vs tors. theta energy: 0.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -76.318664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.318664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.318664 (E_RNA)
where:
Base-Base interactions energy: -28.204
where: short stacking energy: -28.204
Base-Backbone interact. energy: -0.496
local terms energy: -47.618827
where:
bonds (distance) C4'-P energy: -11.438
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -11.847
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -1.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -225.178681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.178681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.178681 (E_RNA)
where:
Base-Base interactions energy: -147.567
where: short stacking energy: -77.274
Base-Backbone interact. energy: -0.160
local terms energy: -77.451575
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -21.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -222.918305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.918305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.918305 (E_RNA)
where:
Base-Base interactions energy: -141.460
where: short stacking energy: -80.682
Base-Backbone interact. energy: -0.952
local terms energy: -80.506355
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -23.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -210.391718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.391718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.391718 (E_RNA)
where:
Base-Base interactions energy: -146.608
where: short stacking energy: -61.447
Base-Backbone interact. energy: -0.227
local terms energy: -63.556810
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -13.597
flat angles C4'-P-C4' energy: -12.697
flat angles P-C4'-P energy: -6.265
tors. eta vs tors. theta energy: -15.135
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: 4, replica: 7
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -219.123600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.123600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.123600 (E_RNA)
where:
Base-Base interactions energy: -145.934
where: short stacking energy: -71.208
Base-Backbone interact. energy: -0.271
local terms energy: -72.919389
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -11.669
flat angles C4'-P-C4' energy: -16.451
flat angles P-C4'-P energy: -12.331
tors. eta vs tors. theta energy: -18.311
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: 5, replica: 10
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -207.087874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.087874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.087874 (E_RNA)
where:
Base-Base interactions energy: -139.173
where: short stacking energy: -65.891
Base-Backbone interact. energy: -0.333
local terms energy: -67.581781
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -16.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -191.171252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.171252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.171252 (E_RNA)
where:
Base-Base interactions energy: -120.513
where: short stacking energy: -58.690
Base-Backbone interact. energy: -0.043
local terms energy: -70.615291
where:
bonds (distance) C4'-P energy: -11.161
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -20.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -116.788355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.788355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.788355 (E_RNA)
where:
Base-Base interactions energy: -58.939
where: short stacking energy: -30.961
Base-Backbone interact. energy: -0.223
local terms energy: -57.626763
where:
bonds (distance) C4'-P energy: -11.332
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -7.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -150.917916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.917916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.917916 (E_RNA)
where:
Base-Base interactions energy: -94.295
where: short stacking energy: -43.964
Base-Backbone interact. energy: -0.291
local terms energy: -56.332243
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -3.754
tors. eta vs tors. theta energy: -11.567
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: 9, replica: 9
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -81.587600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.587600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.587600 (E_RNA)
where:
Base-Base interactions energy: -32.942
where: short stacking energy: -25.073
Base-Backbone interact. energy: -0.166
local terms energy: -48.478990
where:
bonds (distance) C4'-P energy: -10.775
bonds (distance) P-C4' energy: -8.200
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -9.103
tors. eta vs tors. theta energy: -5.116
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: 5
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -82.803067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.803067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.803067 (E_RNA)
where:
Base-Base interactions energy: -45.648
where: short stacking energy: -21.943
Base-Backbone interact. energy: -0.716
local terms energy: -36.439184
where:
bonds (distance) C4'-P energy: -9.220
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -9.680
flat angles P-C4'-P energy: -4.003
tors. eta vs tors. theta energy: 2.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -233.879249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.879249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.879249 (E_RNA)
where:
Base-Base interactions energy: -150.851
where: short stacking energy: -74.784
Base-Backbone interact. energy: -0.001
local terms energy: -83.027014
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -15.735
flat angles C4'-P-C4' energy: -17.746
flat angles P-C4'-P energy: -12.285
tors. eta vs tors. theta energy: -21.611
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: 1
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -214.721156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.721156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.721156 (E_RNA)
where:
Base-Base interactions energy: -138.674
where: short stacking energy: -59.183
Base-Backbone interact. energy: -0.506
local terms energy: -75.541442
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -13.511
tors. eta vs tors. theta energy: -17.664
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: 3
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -218.348488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.348488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.348488 (E_RNA)
where:
Base-Base interactions energy: -146.497
where: short stacking energy: -66.926
Base-Backbone interact. energy: -0.079
local terms energy: -71.772468
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: -22.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -219.985910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.985910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.985910 (E_RNA)
where:
Base-Base interactions energy: -143.534
where: short stacking energy: -60.783
Base-Backbone interact. energy: -0.110
local terms energy: -76.342667
where:
bonds (distance) C4'-P energy: -14.275
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -16.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -215.260897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.260897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.260897 (E_RNA)
where:
Base-Base interactions energy: -141.031
where: short stacking energy: -69.749
Base-Backbone interact. energy: 0.718
local terms energy: -74.947699
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -14.326
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -13.459
tors. eta vs tors. theta energy: -18.616
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: 6, replica: 4
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -172.520715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.520715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.520715 (E_RNA)
where:
Base-Base interactions energy: -113.654
where: short stacking energy: -45.502
Base-Backbone interact. energy: 0.533
local terms energy: -59.399559
where:
bonds (distance) C4'-P energy: -10.492
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -12.427
flat angles P-C4'-P energy: -13.315
tors. eta vs tors. theta energy: -7.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -171.956830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.956830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.956830 (E_RNA)
where:
Base-Base interactions energy: -124.835
where: short stacking energy: -56.257
Base-Backbone interact. energy: -1.018
local terms energy: -46.103996
where:
bonds (distance) C4'-P energy: -5.443
bonds (distance) P-C4' energy: -7.892
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -7.666
tors. eta vs tors. theta energy: -9.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -150.523102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.523102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.523102 (E_RNA)
where:
Base-Base interactions energy: -89.253
where: short stacking energy: -48.881
Base-Backbone interact. energy: -0.015
local terms energy: -61.254398
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: -12.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -92.229953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.229953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.229953 (E_RNA)
where:
Base-Base interactions energy: -42.412
where: short stacking energy: -31.840
Base-Backbone interact. energy: -0.340
local terms energy: -49.478297
where:
bonds (distance) C4'-P energy: -9.515
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -11.397
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: -4.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -88.428925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.428925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.428925 (E_RNA)
where:
Base-Base interactions energy: -41.209
where: short stacking energy: -25.792
Base-Backbone interact. energy: -0.193
local terms energy: -47.026858
where:
bonds (distance) C4'-P energy: -10.142
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -17.245
flat angles P-C4'-P energy: -5.924
tors. eta vs tors. theta energy: 0.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -232.945290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.945290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.945290 (E_RNA)
where:
Base-Base interactions energy: -156.561
where: short stacking energy: -77.128
Base-Backbone interact. energy: -0.173
local terms energy: -76.211503
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -17.243
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: -15.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -217.434872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.434872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.434872 (E_RNA)
where:
Base-Base interactions energy: -140.123
where: short stacking energy: -59.470
Base-Backbone interact. energy: -2.986
local terms energy: -74.325349
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: -19.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -216.129386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.129386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.129386 (E_RNA)
where:
Base-Base interactions energy: -138.391
where: short stacking energy: -76.437
Base-Backbone interact. energy: -0.048
local terms energy: -77.690688
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -16.316
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: -18.440
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: 4, replica: 3
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -214.916264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.916264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.916264 (E_RNA)
where:
Base-Base interactions energy: -142.531
where: short stacking energy: -68.077
Base-Backbone interact. energy: -0.007
local terms energy: -72.378383
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -20.222
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: 7
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -214.661996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.661996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.661996 (E_RNA)
where:
Base-Base interactions energy: -142.945
where: short stacking energy: -75.820
Base-Backbone interact. energy: -0.869
local terms energy: -70.848276
where:
bonds (distance) C4'-P energy: -9.914
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -23.114
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: 6, replica: 4
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -187.597146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.597146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.597146 (E_RNA)
where:
Base-Base interactions energy: -121.180
where: short stacking energy: -46.903
Base-Backbone interact. energy: -0.548
local terms energy: -65.869456
where:
bonds (distance) C4'-P energy: -9.729
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -15.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -154.626608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.626608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.626608 (E_RNA)
where:
Base-Base interactions energy: -98.096
where: short stacking energy: -41.674
Base-Backbone interact. energy: -0.133
local terms energy: -56.396821
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -12.679
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -7.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -188.253737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.253737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.253737 (E_RNA)
where:
Base-Base interactions energy: -121.229
where: short stacking energy: -57.843
Base-Backbone interact. energy: -0.088
local terms energy: -66.936637
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -11.247
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: -18.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -84.687926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.687926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.687926 (E_RNA)
where:
Base-Base interactions energy: -32.668
where: short stacking energy: -30.176
Base-Backbone interact. energy: -0.088
local terms energy: -51.932009
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -6.434
tors. eta vs tors. theta energy: -3.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -78.598777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.598777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.598777 (E_RNA)
where:
Base-Base interactions energy: -31.906
where: short stacking energy: -31.906
Base-Backbone interact. energy: -0.156
local terms energy: -46.537457
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -14.072
flat angles C4'-P-C4' energy: -9.017
flat angles P-C4'-P energy: -2.175
tors. eta vs tors. theta energy: -5.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -233.985970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.985970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.985970 (E_RNA)
where:
Base-Base interactions energy: -155.175
where: short stacking energy: -74.298
Base-Backbone interact. energy: -0.065
local terms energy: -78.745453
where:
bonds (distance) C4'-P energy: -17.219
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -16.106
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -20.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -216.288481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.288481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.288481 (E_RNA)
where:
Base-Base interactions energy: -143.265
where: short stacking energy: -64.574
Base-Backbone interact. energy: -0.583
local terms energy: -72.439987
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -12.123
tors. eta vs tors. theta energy: -13.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -207.397247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.397247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.397247 (E_RNA)
where:
Base-Base interactions energy: -140.647
where: short stacking energy: -61.550
Base-Backbone interact. energy: -0.110
local terms energy: -66.640625
where:
bonds (distance) C4'-P energy: -10.438
bonds (distance) P-C4' energy: -16.511
flat angles C4'-P-C4' energy: -15.930
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -15.344
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: 7
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -221.525970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.525970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.525970 (E_RNA)
where:
Base-Base interactions energy: -151.609
where: short stacking energy: -70.218
Base-Backbone interact. energy: -0.013
local terms energy: -69.903861
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -11.472
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -18.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -206.721853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.721853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.721853 (E_RNA)
where:
Base-Base interactions energy: -133.490
where: short stacking energy: -68.298
Base-Backbone interact. energy: -0.023
local terms energy: -73.208325
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -19.115
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: 4
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -155.779669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.779669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.779669 (E_RNA)
where:
Base-Base interactions energy: -101.176
where: short stacking energy: -42.155
Base-Backbone interact. energy: -0.229
local terms energy: -54.374778
where:
bonds (distance) C4'-P energy: -12.022
bonds (distance) P-C4' energy: -11.766
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -6.390
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: 81
Temperature: 1.200000
Total energy: -158.660512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.660512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.660512 (E_RNA)
where:
Base-Base interactions energy: -97.806
where: short stacking energy: -49.439
Base-Backbone interact. energy: -0.033
local terms energy: -60.821314
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -6.934
tors. eta vs tors. theta energy: -9.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -175.141202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.141202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.141202 (E_RNA)
where:
Base-Base interactions energy: -110.700
where: short stacking energy: -44.781
Base-Backbone interact. energy: -0.004
local terms energy: -64.436803
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -13.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -86.782774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.782774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.782774 (E_RNA)
where:
Base-Base interactions energy: -34.227
where: short stacking energy: -23.652
Base-Backbone interact. energy: -0.524
local terms energy: -52.032150
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -9.591
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -1.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -82.218491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.218491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.218491 (E_RNA)
where:
Base-Base interactions energy: -37.264
where: short stacking energy: -37.264
Base-Backbone interact. energy: -0.113
local terms energy: -44.841161
where:
bonds (distance) C4'-P energy: -9.954
bonds (distance) P-C4' energy: -11.172
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -5.921
tors. eta vs tors. theta energy: -4.606
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: 2
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -229.619793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.619793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.619793 (E_RNA)
where:
Base-Base interactions energy: -146.527
where: short stacking energy: -70.220
Base-Backbone interact. energy: -0.756
local terms energy: -82.336479
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -18.378
flat angles P-C4'-P energy: -11.556
tors. eta vs tors. theta energy: -20.505
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: 10
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -224.107829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.107829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.107829 (E_RNA)
where:
Base-Base interactions energy: -144.680
where: short stacking energy: -75.626
Base-Backbone interact. energy: -0.006
local terms energy: -79.421932
where:
bonds (distance) C4'-P energy: -11.598
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -17.935
flat angles P-C4'-P energy: -14.290
tors. eta vs tors. theta energy: -18.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -227.737930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.737930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.737930 (E_RNA)
where:
Base-Base interactions energy: -150.445
where: short stacking energy: -73.235
Base-Backbone interact. energy: -0.025
local terms energy: -77.267890
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -22.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -200.482677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.482677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.482677 (E_RNA)
where:
Base-Base interactions energy: -136.495
where: short stacking energy: -60.028
Base-Backbone interact. energy: -0.733
local terms energy: -63.255590
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -13.672
flat angles C4'-P-C4' energy: -9.796
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -14.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -163.873116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.873116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.873116 (E_RNA)
where:
Base-Base interactions energy: -91.433
where: short stacking energy: -42.562
Base-Backbone interact. energy: -1.218
local terms energy: -71.221920
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -11.845
tors. eta vs tors. theta energy: -11.427
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: 82
Temperature: 1.150000
Total energy: -198.797118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.797118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.797118 (E_RNA)
where:
Base-Base interactions energy: -133.221
where: short stacking energy: -56.374
Base-Backbone interact. energy: 0.721
local terms energy: -66.296447
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -13.777
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -11.762
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: 8
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -212.255535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.255535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.255535 (E_RNA)
where:
Base-Base interactions energy: -137.926
where: short stacking energy: -61.771
Base-Backbone interact. energy: 0.030
local terms energy: -74.358677
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -12.208
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: 8, replica: 6
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -147.127781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.127781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.127781 (E_RNA)
where:
Base-Base interactions energy: -82.175
where: short stacking energy: -40.458
Base-Backbone interact. energy: -0.042
local terms energy: -64.910784
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -8.470
tors. eta vs tors. theta energy: -10.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -79.020450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.020450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.020450 (E_RNA)
where:
Base-Base interactions energy: -25.227
where: short stacking energy: -24.180
Base-Backbone interact. energy: -0.754
local terms energy: -53.039479
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -8.951
flat angles P-C4'-P energy: -9.250
tors. eta vs tors. theta energy: -6.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -76.438368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.438368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.438368 (E_RNA)
where:
Base-Base interactions energy: -29.167
where: short stacking energy: -28.028
Base-Backbone interact. energy: -0.052
local terms energy: -47.218833
where:
bonds (distance) C4'-P energy: -11.078
bonds (distance) P-C4' energy: -13.413
flat angles C4'-P-C4' energy: -11.439
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: -1.501
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: 2
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -220.031475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.031475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.031475 (E_RNA)
where:
Base-Base interactions energy: -149.960
where: short stacking energy: -68.143
Base-Backbone interact. energy: -0.424
local terms energy: -69.647658
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -13.423
flat angles P-C4'-P energy: -7.652
tors. eta vs tors. theta energy: -17.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -232.110197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.110197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.110197 (E_RNA)
where:
Base-Base interactions energy: -148.590
where: short stacking energy: -73.291
Base-Backbone interact. energy: -0.014
local terms energy: -83.506136
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -13.995
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: 3, replica: 10
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -221.138345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.138345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.138345 (E_RNA)
where:
Base-Base interactions energy: -143.995
where: short stacking energy: -70.308
Base-Backbone interact. energy: 0.970
local terms energy: -78.113338
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -9.436
tors. eta vs tors. theta energy: -22.188
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: 4, replica: 1
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -198.801882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.801882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.801882 (E_RNA)
where:
Base-Base interactions energy: -134.637
where: short stacking energy: -53.309
Base-Backbone interact. energy: 0.296
local terms energy: -64.461217
where:
bonds (distance) C4'-P energy: -14.680
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -11.191
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -14.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -163.083705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.083705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.083705 (E_RNA)
where:
Base-Base interactions energy: -107.211
where: short stacking energy: -45.357
Base-Backbone interact. energy: -1.327
local terms energy: -54.545541
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -12.146
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -7.456
tors. eta vs tors. theta energy: -7.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -206.438426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.438426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.438426 (E_RNA)
where:
Base-Base interactions energy: -144.449
where: short stacking energy: -55.239
Base-Backbone interact. energy: -0.116
local terms energy: -61.873613
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -7.143
tors. eta vs tors. theta energy: -16.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -209.008562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.008562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.008562 (E_RNA)
where:
Base-Base interactions energy: -143.568
where: short stacking energy: -65.388
Base-Backbone interact. energy: -0.110
local terms energy: -65.331133
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -9.020
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -16.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -141.237024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.237024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.237024 (E_RNA)
where:
Base-Base interactions energy: -86.108
where: short stacking energy: -36.557
Base-Backbone interact. energy: -0.207
local terms energy: -54.922638
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -8.476
flat angles P-C4'-P energy: -6.406
tors. eta vs tors. theta energy: -8.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -80.152362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.152362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.152362 (E_RNA)
where:
Base-Base interactions energy: -27.433
where: short stacking energy: -27.433
Base-Backbone interact. energy: -0.002
local terms energy: -52.717711
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -3.095
tors. eta vs tors. theta energy: -4.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -83.755151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.755151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.755151 (E_RNA)
where:
Base-Base interactions energy: -31.309
where: short stacking energy: -31.309
Base-Backbone interact. energy: -0.107
local terms energy: -52.339433
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -18.327
flat angles C4'-P-C4' energy: -11.816
flat angles P-C4'-P energy: -4.905
tors. eta vs tors. theta energy: -1.677
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: 7
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -237.572814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.572814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.572814 (E_RNA)
where:
Base-Base interactions energy: -151.260
where: short stacking energy: -78.744
Base-Backbone interact. energy: -0.076
local terms energy: -86.237025
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -17.503
flat angles P-C4'-P energy: -14.658
tors. eta vs tors. theta energy: -22.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -219.449780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.449780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.449780 (E_RNA)
where:
Base-Base interactions energy: -145.491
where: short stacking energy: -58.398
Base-Backbone interact. energy: 0.040
local terms energy: -73.999039
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -15.141
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -18.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -222.587221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.587221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.587221 (E_RNA)
where:
Base-Base interactions energy: -145.791
where: short stacking energy: -77.044
Base-Backbone interact. energy: -0.359
local terms energy: -76.437044
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -12.589
flat angles C4'-P-C4' energy: -18.205
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -21.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -196.809707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.809707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.809707 (E_RNA)
where:
Base-Base interactions energy: -137.774
where: short stacking energy: -56.006
Base-Backbone interact. energy: 0.355
local terms energy: -59.390179
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -12.488
flat angles P-C4'-P energy: -3.053
tors. eta vs tors. theta energy: -13.067
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: 8
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -217.360111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.360111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.360111 (E_RNA)
where:
Base-Base interactions energy: -140.540
where: short stacking energy: -70.884
Base-Backbone interact. energy: -0.341
local terms energy: -76.479385
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -17.923
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -20.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -162.115282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.115282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.115282 (E_RNA)
where:
Base-Base interactions energy: -99.698
where: short stacking energy: -52.329
Base-Backbone interact. energy: -0.037
local terms energy: -62.379793
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -6.849
tors. eta vs tors. theta energy: -15.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -201.426861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.426861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.426861 (E_RNA)
where:
Base-Base interactions energy: -130.477
where: short stacking energy: -65.351
Base-Backbone interact. energy: -0.049
local terms energy: -70.901302
where:
bonds (distance) C4'-P energy: -11.241
bonds (distance) P-C4' energy: -12.552
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -13.500
tors. eta vs tors. theta energy: -16.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -97.699270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.699270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.699270 (E_RNA)
where:
Base-Base interactions energy: -40.028
where: short stacking energy: -30.302
Base-Backbone interact. energy: -0.174
local terms energy: -57.496397
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -12.407
flat angles P-C4'-P energy: -6.828
tors. eta vs tors. theta energy: -6.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -80.316003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.316003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.316003 (E_RNA)
where:
Base-Base interactions energy: -22.086
where: short stacking energy: -20.126
Base-Backbone interact. energy: -0.317
local terms energy: -57.913090
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -6.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -79.524618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.524618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.524618 (E_RNA)
where:
Base-Base interactions energy: -30.100
where: short stacking energy: -27.367
Base-Backbone interact. energy: 2.521
local terms energy: -51.945353
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -13.146
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: -1.079
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: 7
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -234.597671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.597671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.597671 (E_RNA)
where:
Base-Base interactions energy: -154.428
where: short stacking energy: -75.244
Base-Backbone interact. energy: -0.661
local terms energy: -79.508560
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -18.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -225.029643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.029643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.029643 (E_RNA)
where:
Base-Base interactions energy: -148.818
where: short stacking energy: -69.486
Base-Backbone interact. energy: -0.150
local terms energy: -76.061667
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -15.735
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -14.965
tors. eta vs tors. theta energy: -19.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -219.781928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.781928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.781928 (E_RNA)
where:
Base-Base interactions energy: -143.715
where: short stacking energy: -76.268
Base-Backbone interact. energy: -0.006
local terms energy: -76.060609
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -16.128
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: -21.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -224.201912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.201912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.201912 (E_RNA)
where:
Base-Base interactions energy: -152.735
where: short stacking energy: -76.963
Base-Backbone interact. energy: -0.000
local terms energy: -71.466956
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -10.882
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -20.967
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: 1
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -198.205866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.205866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.205866 (E_RNA)
where:
Base-Base interactions energy: -128.590
where: short stacking energy: -53.609
Base-Backbone interact. energy: -0.188
local terms energy: -69.427806
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -17.654
flat angles P-C4'-P energy: -3.503
tors. eta vs tors. theta energy: -15.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -206.013904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.013904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.013904 (E_RNA)
where:
Base-Base interactions energy: -141.592
where: short stacking energy: -62.771
Base-Backbone interact. energy: -0.807
local terms energy: -63.614956
where:
bonds (distance) C4'-P energy: -9.485
bonds (distance) P-C4' energy: -14.658
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -7.211
tors. eta vs tors. theta energy: -16.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -159.139903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.139903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.139903 (E_RNA)
where:
Base-Base interactions energy: -100.170
where: short stacking energy: -53.529
Base-Backbone interact. energy: 0.546
local terms energy: -59.516506
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -13.869
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -5.604
tors. eta vs tors. theta energy: -11.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -129.259172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.259172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.259172 (E_RNA)
where:
Base-Base interactions energy: -71.362
where: short stacking energy: -30.888
Base-Backbone interact. energy: -0.161
local terms energy: -57.736075
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -11.471
tors. eta vs tors. theta energy: -5.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -76.877652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.877652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.877652 (E_RNA)
where:
Base-Base interactions energy: -28.166
where: short stacking energy: -27.451
Base-Backbone interact. energy: -0.091
local terms energy: -48.620734
where:
bonds (distance) C4'-P energy: -9.710
bonds (distance) P-C4' energy: -13.382
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -11.174
tors. eta vs tors. theta energy: -2.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -79.758952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.758952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.758952 (E_RNA)
where:
Base-Base interactions energy: -32.831
where: short stacking energy: -32.682
Base-Backbone interact. energy: -0.195
local terms energy: -46.733083
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -9.741
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -1.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -226.346631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.346631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.346631 (E_RNA)
where:
Base-Base interactions energy: -152.494
where: short stacking energy: -75.662
Base-Backbone interact. energy: -0.132
local terms energy: -73.720557
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -13.667
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -10.620
tors. eta vs tors. theta energy: -21.641
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: 2
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -223.793181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.793181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.793181 (E_RNA)
where:
Base-Base interactions energy: -144.032
where: short stacking energy: -69.696
Base-Backbone interact. energy: -0.277
local terms energy: -79.484369
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -17.599
flat angles P-C4'-P energy: -12.098
tors. eta vs tors. theta energy: -20.361
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: 3, replica: 8
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -224.612529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.612529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.612529 (E_RNA)
where:
Base-Base interactions energy: -147.482
where: short stacking energy: -71.051
Base-Backbone interact. energy: -0.009
local terms energy: -77.121021
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -12.496
tors. eta vs tors. theta energy: -21.247
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: 4, replica: 10
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -219.062416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.062416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.062416 (E_RNA)
where:
Base-Base interactions energy: -136.192
where: short stacking energy: -71.232
Base-Backbone interact. energy: -0.017
local terms energy: -82.853314
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -14.219
flat angles P-C4'-P energy: -15.056
tors. eta vs tors. theta energy: -21.333
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: 3
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -205.828860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.828860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.828860 (E_RNA)
where:
Base-Base interactions energy: -130.649
where: short stacking energy: -61.641
Base-Backbone interact. energy: -1.126
local terms energy: -74.053904
where:
bonds (distance) C4'-P energy: -12.244
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: -17.585
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: 86
Temperature: 1.150000
Total energy: -196.680816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.680816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.680816 (E_RNA)
where:
Base-Base interactions energy: -128.516
where: short stacking energy: -53.317
Base-Backbone interact. energy: -0.796
local terms energy: -67.368390
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -15.091
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: 7, replica: 6
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -123.099189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.099189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.099189 (E_RNA)
where:
Base-Base interactions energy: -64.998
where: short stacking energy: -34.594
Base-Backbone interact. energy: -0.559
local terms energy: -57.541630
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -5.030
tors. eta vs tors. theta energy: -7.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -156.509459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.509459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.509459 (E_RNA)
where:
Base-Base interactions energy: -97.420
where: short stacking energy: -53.407
Base-Backbone interact. energy: -0.102
local terms energy: -58.987173
where:
bonds (distance) C4'-P energy: -7.533
bonds (distance) P-C4' energy: -12.369
flat angles C4'-P-C4' energy: -12.392
flat angles P-C4'-P energy: -12.835
tors. eta vs tors. theta energy: -13.858
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: 86
Temperature: 1.300000
Total energy: -86.331424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.331424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.331424 (E_RNA)
where:
Base-Base interactions energy: -30.456
where: short stacking energy: -15.246
Base-Backbone interact. energy: -0.322
local terms energy: -55.553340
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: 0.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -73.372158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.372158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.372158 (E_RNA)
where:
Base-Base interactions energy: -26.525
where: short stacking energy: -22.408
Base-Backbone interact. energy: -0.317
local terms energy: -46.530562
where:
bonds (distance) C4'-P energy: -8.841
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -12.693
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -2.328
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: 7
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -230.430670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.430670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.430670 (E_RNA)
where:
Base-Base interactions energy: -153.210
where: short stacking energy: -61.513
Base-Backbone interact. energy: -0.065
local terms energy: -77.155207
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -21.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -222.728163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.728163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.728163 (E_RNA)
where:
Base-Base interactions energy: -149.459
where: short stacking energy: -71.185
Base-Backbone interact. energy: -0.075
local terms energy: -73.193643
where:
bonds (distance) C4'-P energy: -10.889
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -16.983
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: -20.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -226.735332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.735332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.735332 (E_RNA)
where:
Base-Base interactions energy: -147.289
where: short stacking energy: -68.744
Base-Backbone interact. energy: -0.200
local terms energy: -79.246089
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -12.683
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -13.057
tors. eta vs tors. theta energy: -23.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -223.701988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.701988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.701988 (E_RNA)
where:
Base-Base interactions energy: -149.664
where: short stacking energy: -75.420
Base-Backbone interact. energy: -0.004
local terms energy: -74.034673
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -20.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -202.994182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.994182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.994182 (E_RNA)
where:
Base-Base interactions energy: -132.696
where: short stacking energy: -62.287
Base-Backbone interact. energy: -0.233
local terms energy: -70.065736
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -12.674
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: 1
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -172.885280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.885280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.885280 (E_RNA)
where:
Base-Base interactions energy: -111.914
where: short stacking energy: -57.294
Base-Backbone interact. energy: 0.272
local terms energy: -61.243131
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -10.120
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -11.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -145.694350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.694350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.694350 (E_RNA)
where:
Base-Base interactions energy: -85.133
where: short stacking energy: -36.181
Base-Backbone interact. energy: -0.128
local terms energy: -60.433351
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -13.196
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -9.129
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: 8, replica: 4
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -152.283905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.283905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.283905 (E_RNA)
where:
Base-Base interactions energy: -91.022
where: short stacking energy: -37.813
Base-Backbone interact. energy: -0.022
local terms energy: -61.239999
where:
bonds (distance) C4'-P energy: -10.065
bonds (distance) P-C4' energy: -13.115
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -14.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -75.532511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.532511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.532511 (E_RNA)
where:
Base-Base interactions energy: -38.072
where: short stacking energy: -32.855
Base-Backbone interact. energy: -0.141
local terms energy: -37.319550
where:
bonds (distance) C4'-P energy: -6.611
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -9.715
flat angles P-C4'-P energy: -1.333
tors. eta vs tors. theta energy: -2.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -83.031305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.031305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.031305 (E_RNA)
where:
Base-Base interactions energy: -38.336
where: short stacking energy: -17.630
Base-Backbone interact. energy: -0.647
local terms energy: -44.048192
where:
bonds (distance) C4'-P energy: -10.506
bonds (distance) P-C4' energy: -11.554
flat angles C4'-P-C4' energy: -10.426
flat angles P-C4'-P energy: -7.378
tors. eta vs tors. theta energy: -4.183
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: 2
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -227.435492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.435492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.435492 (E_RNA)
where:
Base-Base interactions energy: -148.126
where: short stacking energy: -67.058
Base-Backbone interact. energy: -0.442
local terms energy: -78.867281
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -17.502
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: -19.579
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: 7
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -228.926051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.926051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.926051 (E_RNA)
where:
Base-Base interactions energy: -145.073
where: short stacking energy: -66.236
Base-Backbone interact. energy: -0.035
local terms energy: -83.818240
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -15.162
flat angles C4'-P-C4' energy: -18.579
flat angles P-C4'-P energy: -14.618
tors. eta vs tors. theta energy: -20.272
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: 3
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -232.192928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.192928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.192928 (E_RNA)
where:
Base-Base interactions energy: -150.652
where: short stacking energy: -75.013
Base-Backbone interact. energy: -0.036
local terms energy: -81.504480
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -22.670
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: 4, replica: 8
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -203.851466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.851466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.851466 (E_RNA)
where:
Base-Base interactions energy: -134.460
where: short stacking energy: -66.763
Base-Backbone interact. energy: -0.042
local terms energy: -69.349837
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -13.689
flat angles P-C4'-P energy: -6.907
tors. eta vs tors. theta energy: -19.980
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: 10
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -203.794637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.794637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.794637 (E_RNA)
where:
Base-Base interactions energy: -133.804
where: short stacking energy: -61.258
Base-Backbone interact. energy: -0.101
local terms energy: -69.889501
where:
bonds (distance) C4'-P energy: -16.810
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -16.435
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -13.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -177.030953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.030953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.030953 (E_RNA)
where:
Base-Base interactions energy: -108.086
where: short stacking energy: -50.067
Base-Backbone interact. energy: -0.015
local terms energy: -68.929588
where:
bonds (distance) C4'-P energy: -11.063
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -17.988
flat angles P-C4'-P energy: -5.328
tors. eta vs tors. theta energy: -18.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -168.300273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.300273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.300273 (E_RNA)
where:
Base-Base interactions energy: -111.410
where: short stacking energy: -53.187
Base-Backbone interact. energy: -0.138
local terms energy: -56.752694
where:
bonds (distance) C4'-P energy: -11.521
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -10.035
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: 4
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -88.475213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.475213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.475213 (E_RNA)
where:
Base-Base interactions energy: -39.998
where: short stacking energy: -16.667
Base-Backbone interact. energy: -0.222
local terms energy: -48.255247
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -4.666
tors. eta vs tors. theta energy: 1.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -80.696735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.696735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.696735 (E_RNA)
where:
Base-Base interactions energy: -32.930
where: short stacking energy: -28.220
Base-Backbone interact. energy: 0.164
local terms energy: -47.931343
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -8.733
tors. eta vs tors. theta energy: -0.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -81.801977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.801977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.801977 (E_RNA)
where:
Base-Base interactions energy: -29.401
where: short stacking energy: -29.401
Base-Backbone interact. energy: -0.208
local terms energy: -52.193140
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -11.874
flat angles C4'-P-C4' energy: -13.336
flat angles P-C4'-P energy: -7.361
tors. eta vs tors. theta energy: -4.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -228.543383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.543383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.543383 (E_RNA)
where:
Base-Base interactions energy: -149.445
where: short stacking energy: -65.966
Base-Backbone interact. energy: -0.363
local terms energy: -78.735118
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -12.749
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -14.063
tors. eta vs tors. theta energy: -20.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -231.135348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.135348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.135348 (E_RNA)
where:
Base-Base interactions energy: -151.063
where: short stacking energy: -79.155
Base-Backbone interact. energy: -0.197
local terms energy: -79.875663
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -22.542
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: 7
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -225.210625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.210625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.210625 (E_RNA)
where:
Base-Base interactions energy: -151.931
where: short stacking energy: -69.344
Base-Backbone interact. energy: -0.761
local terms energy: -72.518990
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -14.252
flat angles P-C4'-P energy: -12.180
tors. eta vs tors. theta energy: -17.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -225.028276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.028276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.028276 (E_RNA)
where:
Base-Base interactions energy: -150.070
where: short stacking energy: -66.058
Base-Backbone interact. energy: -0.613
local terms energy: -74.345678
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -12.319
flat angles C4'-P-C4' energy: -17.047
flat angles P-C4'-P energy: -10.627
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: 5, replica: 10
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -221.006646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.006646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.006646 (E_RNA)
where:
Base-Base interactions energy: -149.639
where: short stacking energy: -64.653
Base-Backbone interact. energy: -0.430
local terms energy: -70.937264
where:
bonds (distance) C4'-P energy: -16.889
bonds (distance) P-C4' energy: -12.833
flat angles C4'-P-C4' energy: -18.358
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -13.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -187.305511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.305511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.305511 (E_RNA)
where:
Base-Base interactions energy: -127.424
where: short stacking energy: -59.902
Base-Backbone interact. energy: -0.296
local terms energy: -59.585037
where:
bonds (distance) C4'-P energy: -12.572
bonds (distance) P-C4' energy: -9.685
flat angles C4'-P-C4' energy: -17.483
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -9.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -165.799558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.799558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.799558 (E_RNA)
where:
Base-Base interactions energy: -102.803
where: short stacking energy: -51.470
Base-Backbone interact. energy: -0.309
local terms energy: -62.687582
where:
bonds (distance) C4'-P energy: -10.860
bonds (distance) P-C4' energy: -18.032
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -14.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -154.003811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.003811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.003811 (E_RNA)
where:
Base-Base interactions energy: -96.358
where: short stacking energy: -37.718
Base-Backbone interact. energy: -0.427
local terms energy: -57.219010
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -7.145
tors. eta vs tors. theta energy: -6.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -79.656370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.656370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.656370 (E_RNA)
where:
Base-Base interactions energy: -32.953
where: short stacking energy: -20.029
Base-Backbone interact. energy: -0.410
local terms energy: -46.293542
where:
bonds (distance) C4'-P energy: -13.042
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -5.459
tors. eta vs tors. theta energy: -0.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -80.298816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.298816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.298816 (E_RNA)
where:
Base-Base interactions energy: -26.003
where: short stacking energy: -25.985
Base-Backbone interact. energy: 0.403
local terms energy: -54.698873
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -13.118
flat angles P-C4'-P energy: -7.182
tors. eta vs tors. theta energy: -6.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -231.325289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.325289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.325289 (E_RNA)
where:
Base-Base interactions energy: -147.993
where: short stacking energy: -67.768
Base-Backbone interact. energy: -0.682
local terms energy: -82.649713
where:
bonds (distance) C4'-P energy: -17.324
bonds (distance) P-C4' energy: -18.343
flat angles C4'-P-C4' energy: -15.937
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -22.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -225.105409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.105409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.105409 (E_RNA)
where:
Base-Base interactions energy: -156.315
where: short stacking energy: -66.087
Base-Backbone interact. energy: -0.638
local terms energy: -68.152200
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -5.765
tors. eta vs tors. theta energy: -17.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -218.444612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.444612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.444612 (E_RNA)
where:
Base-Base interactions energy: -146.717
where: short stacking energy: -62.823
Base-Backbone interact. energy: -0.003
local terms energy: -71.724501
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -12.090
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -13.320
tors. eta vs tors. theta energy: -20.318
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: 7
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -220.789579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.789579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.789579 (E_RNA)
where:
Base-Base interactions energy: -146.331
where: short stacking energy: -65.696
Base-Backbone interact. energy: -0.013
local terms energy: -74.445448
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -11.433
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: 5, replica: 10
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -220.004159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.004159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.004159 (E_RNA)
where:
Base-Base interactions energy: -141.860
where: short stacking energy: -65.134
Base-Backbone interact. energy: -0.002
local terms energy: -78.142007
where:
bonds (distance) C4'-P energy: -16.972
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -19.940
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: 6, replica: 6
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -204.577218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.577218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.577218 (E_RNA)
where:
Base-Base interactions energy: -142.316
where: short stacking energy: -65.312
Base-Backbone interact. energy: -0.735
local terms energy: -61.526381
where:
bonds (distance) C4'-P energy: -10.030
bonds (distance) P-C4' energy: -12.788
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -15.203
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: 4
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -192.239712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.239712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.239712 (E_RNA)
where:
Base-Base interactions energy: -139.745
where: short stacking energy: -60.008
Base-Backbone interact. energy: -0.272
local terms energy: -52.222930
where:
bonds (distance) C4'-P energy: -10.201
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -10.065
flat angles P-C4'-P energy: -5.356
tors. eta vs tors. theta energy: -11.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -162.985254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.985254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.985254 (E_RNA)
where:
Base-Base interactions energy: -109.136
where: short stacking energy: -61.700
Base-Backbone interact. energy: -0.062
local terms energy: -53.787188
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -13.149
flat angles C4'-P-C4' energy: -9.835
flat angles P-C4'-P energy: -6.414
tors. eta vs tors. theta energy: -13.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -103.576164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.576164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.576164 (E_RNA)
where:
Base-Base interactions energy: -44.782
where: short stacking energy: -36.976
Base-Backbone interact. energy: 0.271
local terms energy: -59.065198
where:
bonds (distance) C4'-P energy: -8.320
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -11.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -74.489082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.489082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.489082 (E_RNA)
where:
Base-Base interactions energy: -28.994
where: short stacking energy: -17.716
Base-Backbone interact. energy: -0.047
local terms energy: -45.448405
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -3.326
tors. eta vs tors. theta energy: -0.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -228.537222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.537222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.537222 (E_RNA)
where:
Base-Base interactions energy: -149.137
where: short stacking energy: -64.889
Base-Backbone interact. energy: -0.294
local terms energy: -79.105639
where:
bonds (distance) C4'-P energy: -18.156
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -20.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -227.064150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.064150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.064150 (E_RNA)
where:
Base-Base interactions energy: -144.030
where: short stacking energy: -70.932
Base-Backbone interact. energy: -0.820
local terms energy: -82.213929
where:
bonds (distance) C4'-P energy: -17.170
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -18.008
flat angles P-C4'-P energy: -12.299
tors. eta vs tors. theta energy: -19.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -227.567589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.567589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.567589 (E_RNA)
where:
Base-Base interactions energy: -151.834
where: short stacking energy: -68.703
Base-Backbone interact. energy: -0.062
local terms energy: -75.671560
where:
bonds (distance) C4'-P energy: -11.562
bonds (distance) P-C4' energy: -15.872
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -21.841
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: 4, replica: 7
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -218.732602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.732602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.732602 (E_RNA)
where:
Base-Base interactions energy: -140.471
where: short stacking energy: -71.134
Base-Backbone interact. energy: -0.001
local terms energy: -78.260674
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: -20.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -214.491378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.491378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.491378 (E_RNA)
where:
Base-Base interactions energy: -139.422
where: short stacking energy: -62.027
Base-Backbone interact. energy: -0.052
local terms energy: -75.016663
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -10.638
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -12.249
tors. eta vs tors. theta energy: -22.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -203.394844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.394844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.394844 (E_RNA)
where:
Base-Base interactions energy: -148.376
where: short stacking energy: -59.085
Base-Backbone interact. energy: -0.147
local terms energy: -54.871066
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -10.828
flat angles C4'-P-C4' energy: -9.225
flat angles P-C4'-P energy: -8.281
tors. eta vs tors. theta energy: -14.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -185.442090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.442090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.442090 (E_RNA)
where:
Base-Base interactions energy: -118.091
where: short stacking energy: -57.232
Base-Backbone interact. energy: -0.849
local terms energy: -66.502221
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -7.780
tors. eta vs tors. theta energy: -13.781
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: 1
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -136.671625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.671625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.671625 (E_RNA)
where:
Base-Base interactions energy: -82.865
where: short stacking energy: -43.729
Base-Backbone interact. energy: 3.716
local terms energy: -57.522340
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -11.876
flat angles C4'-P-C4' energy: -11.288
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: -11.701
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: 9, replica: 5
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -77.160119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.160119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.160119 (E_RNA)
where:
Base-Base interactions energy: -28.003
where: short stacking energy: -27.742
Base-Backbone interact. energy: -0.098
local terms energy: -49.058472
where:
bonds (distance) C4'-P energy: -16.926
bonds (distance) P-C4' energy: -10.965
flat angles C4'-P-C4' energy: -8.485
flat angles P-C4'-P energy: -8.397
tors. eta vs tors. theta energy: -4.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -80.327787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.327787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.327787 (E_RNA)
where:
Base-Base interactions energy: -35.221
where: short stacking energy: -27.037
Base-Backbone interact. energy: -0.176
local terms energy: -44.931392
where:
bonds (distance) C4'-P energy: -9.491
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -11.826
flat angles P-C4'-P energy: -4.081
tors. eta vs tors. theta energy: -4.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -237.581456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.581456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.581456 (E_RNA)
where:
Base-Base interactions energy: -155.102
where: short stacking energy: -73.161
Base-Backbone interact. energy: -0.574
local terms energy: -81.905428
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -13.213
flat angles C4'-P-C4' energy: -17.062
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -23.514
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: 3
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -222.099204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.099204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.099204 (E_RNA)
where:
Base-Base interactions energy: -146.140
where: short stacking energy: -69.066
Base-Backbone interact. energy: -0.001
local terms energy: -75.958079
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -12.773
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -13.178
tors. eta vs tors. theta energy: -19.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -213.340072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.340072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.340072 (E_RNA)
where:
Base-Base interactions energy: -140.463
where: short stacking energy: -76.638
Base-Backbone interact. energy: -0.001
local terms energy: -72.876448
where:
bonds (distance) C4'-P energy: -13.517
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -19.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -217.324441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.324441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.324441 (E_RNA)
where:
Base-Base interactions energy: -137.327
where: short stacking energy: -70.237
Base-Backbone interact. energy: -0.000
local terms energy: -79.997366
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -16.634
flat angles P-C4'-P energy: -11.985
tors. eta vs tors. theta energy: -23.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -206.305759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.305759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.305759 (E_RNA)
where:
Base-Base interactions energy: -136.597
where: short stacking energy: -60.398
Base-Backbone interact. energy: -0.265
local terms energy: -69.443813
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -11.874
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -6.235
tors. eta vs tors. theta energy: -18.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -203.844901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.844901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.844901 (E_RNA)
where:
Base-Base interactions energy: -138.709
where: short stacking energy: -59.417
Base-Backbone interact. energy: -0.001
local terms energy: -65.134601
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -13.406
flat angles C4'-P-C4' energy: -8.728
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -17.133
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: 92
Temperature: 1.200000
Total energy: -154.979008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.979008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.979008 (E_RNA)
where:
Base-Base interactions energy: -91.772
where: short stacking energy: -51.435
Base-Backbone interact. energy: -0.106
local terms energy: -63.101369
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -14.542
flat angles C4'-P-C4' energy: -12.677
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: -12.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -191.088757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.088757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.088757 (E_RNA)
where:
Base-Base interactions energy: -140.755
where: short stacking energy: -68.494
Base-Backbone interact. energy: -0.005
local terms energy: -50.328395
where:
bonds (distance) C4'-P energy: -5.623
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -6.680
flat angles P-C4'-P energy: -4.783
tors. eta vs tors. theta energy: -18.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -83.660140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.660140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.660140 (E_RNA)
where:
Base-Base interactions energy: -30.581
where: short stacking energy: -30.581
Base-Backbone interact. energy: 0.825
local terms energy: -53.904363
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -12.154
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -10.716
tors. eta vs tors. theta energy: -5.125
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: 5
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -71.720882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.720882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.720882 (E_RNA)
where:
Base-Base interactions energy: -31.773
where: short stacking energy: -21.024
Base-Backbone interact. energy: -0.119
local terms energy: -39.829042
where:
bonds (distance) C4'-P energy: -10.004
bonds (distance) P-C4' energy: -8.854
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: 1.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -228.677847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.677847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.677847 (E_RNA)
where:
Base-Base interactions energy: -154.040
where: short stacking energy: -77.704
Base-Backbone interact. energy: -0.796
local terms energy: -73.841973
where:
bonds (distance) C4'-P energy: -11.312
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -12.883
tors. eta vs tors. theta energy: -21.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -221.946034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.946034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.946034 (E_RNA)
where:
Base-Base interactions energy: -147.341
where: short stacking energy: -73.163
Base-Backbone interact. energy: -1.296
local terms energy: -73.309341
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -13.409
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -7.432
tors. eta vs tors. theta energy: -21.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -225.591879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.591879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.591879 (E_RNA)
where:
Base-Base interactions energy: -143.134
where: short stacking energy: -70.161
Base-Backbone interact. energy: -0.001
local terms energy: -82.457332
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -18.510
flat angles P-C4'-P energy: -13.714
tors. eta vs tors. theta energy: -22.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -215.460368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.460368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.460368 (E_RNA)
where:
Base-Base interactions energy: -137.448
where: short stacking energy: -64.516
Base-Backbone interact. energy: -0.265
local terms energy: -77.747900
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -17.074
flat angles P-C4'-P energy: -10.677
tors. eta vs tors. theta energy: -16.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -203.125911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.125911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.125911 (E_RNA)
where:
Base-Base interactions energy: -130.372
where: short stacking energy: -57.837
Base-Backbone interact. energy: -0.002
local terms energy: -72.751460
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -12.732
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -13.659
tors. eta vs tors. theta energy: -15.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -207.858594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.858594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.858594 (E_RNA)
where:
Base-Base interactions energy: -135.586
where: short stacking energy: -62.156
Base-Backbone interact. energy: -0.608
local terms energy: -71.665193
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -21.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -153.788065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.788065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.788065 (E_RNA)
where:
Base-Base interactions energy: -87.422
where: short stacking energy: -52.595
Base-Backbone interact. energy: -0.226
local terms energy: -66.140028
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -13.235
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -16.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -196.267375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.267375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.267375 (E_RNA)
where:
Base-Base interactions energy: -127.183
where: short stacking energy: -63.237
Base-Backbone interact. energy: 0.691
local terms energy: -69.775203
where:
bonds (distance) C4'-P energy: -11.476
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -18.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -79.640133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.640133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.640133 (E_RNA)
where:
Base-Base interactions energy: -23.329
where: short stacking energy: -23.329
Base-Backbone interact. energy: -0.009
local terms energy: -56.301782
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -12.257
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -7.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -75.593822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.593822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.593822 (E_RNA)
where:
Base-Base interactions energy: -27.705
where: short stacking energy: -27.705
Base-Backbone interact. energy: -0.115
local terms energy: -47.774349
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -13.620
flat angles P-C4'-P energy: -7.012
tors. eta vs tors. theta energy: -2.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -230.999534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.999534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.999534 (E_RNA)
where:
Base-Base interactions energy: -148.619
where: short stacking energy: -70.752
Base-Backbone interact. energy: -0.315
local terms energy: -82.065477
where:
bonds (distance) C4'-P energy: -18.325
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -21.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -222.362818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.362818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.362818 (E_RNA)
where:
Base-Base interactions energy: -145.888
where: short stacking energy: -64.988
Base-Backbone interact. energy: -0.133
local terms energy: -76.341744
where:
bonds (distance) C4'-P energy: -17.903
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: -17.371
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: 3
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -219.026971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.026971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.026971 (E_RNA)
where:
Base-Base interactions energy: -150.827
where: short stacking energy: -68.173
Base-Backbone interact. energy: -0.202
local terms energy: -67.998221
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -17.777
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: 94
Temperature: 1.050000
Total energy: -211.364846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.364846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.364846 (E_RNA)
where:
Base-Base interactions energy: -150.525
where: short stacking energy: -60.164
Base-Backbone interact. energy: -0.296
local terms energy: -60.543221
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -12.129
flat angles P-C4'-P energy: -6.463
tors. eta vs tors. theta energy: -15.163
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: 5, replica: 2
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -209.861375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.861375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.861375 (E_RNA)
where:
Base-Base interactions energy: -143.206
where: short stacking energy: -72.159
Base-Backbone interact. energy: 0.271
local terms energy: -66.926612
where:
bonds (distance) C4'-P energy: -10.678
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -19.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -213.192424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.192424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.192424 (E_RNA)
where:
Base-Base interactions energy: -138.759
where: short stacking energy: -67.579
Base-Backbone interact. energy: 0.099
local terms energy: -74.531766
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -14.372
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -19.257
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: 6
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -204.313483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.313483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.313483 (E_RNA)
where:
Base-Base interactions energy: -134.165
where: short stacking energy: -60.945
Base-Backbone interact. energy: -0.018
local terms energy: -70.130413
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -12.335
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -8.592
tors. eta vs tors. theta energy: -18.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -144.330983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.330983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.330983 (E_RNA)
where:
Base-Base interactions energy: -88.765
where: short stacking energy: -36.376
Base-Backbone interact. energy: 0.335
local terms energy: -55.900733
where:
bonds (distance) C4'-P energy: -12.246
bonds (distance) P-C4' energy: -13.893
flat angles C4'-P-C4' energy: -11.373
flat angles P-C4'-P energy: -6.092
tors. eta vs tors. theta energy: -12.296
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: 5
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -80.850862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.850862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.850862 (E_RNA)
where:
Base-Base interactions energy: -29.356
where: short stacking energy: -25.848
Base-Backbone interact. energy: 0.304
local terms energy: -51.798202
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -2.610
tors. eta vs tors. theta energy: -2.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -81.285685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.285685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.285685 (E_RNA)
where:
Base-Base interactions energy: -31.071
where: short stacking energy: -25.121
Base-Backbone interact. energy: -0.038
local terms energy: -50.177546
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -11.773
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -1.635
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: 95
Temperature: 0.900000
Total energy: -231.714491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.714491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.714491 (E_RNA)
where:
Base-Base interactions energy: -156.615
where: short stacking energy: -74.459
Base-Backbone interact. energy: -0.344
local terms energy: -74.755512
where:
bonds (distance) C4'-P energy: -8.861
bonds (distance) P-C4' energy: -16.931
flat angles C4'-P-C4' energy: -17.446
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -23.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -225.537001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.537001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.537001 (E_RNA)
where:
Base-Base interactions energy: -155.180
where: short stacking energy: -71.310
Base-Backbone interact. energy: -0.040
local terms energy: -70.316413
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -11.837
tors. eta vs tors. theta energy: -15.572
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: 7
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -223.538380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.538380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.538380 (E_RNA)
where:
Base-Base interactions energy: -145.061
where: short stacking energy: -66.035
Base-Backbone interact. energy: -0.001
local terms energy: -78.476595
where:
bonds (distance) C4'-P energy: -14.821
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -20.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -212.633691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.633691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.633691 (E_RNA)
where:
Base-Base interactions energy: -141.397
where: short stacking energy: -66.179
Base-Backbone interact. energy: -0.001
local terms energy: -71.235540
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -11.816
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -12.105
tors. eta vs tors. theta energy: -17.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -216.375436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.375436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.375436 (E_RNA)
where:
Base-Base interactions energy: -144.755
where: short stacking energy: -65.778
Base-Backbone interact. energy: -0.316
local terms energy: -71.304276
where:
bonds (distance) C4'-P energy: -13.649
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -16.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -207.565586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.565586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.565586 (E_RNA)
where:
Base-Base interactions energy: -138.780
where: short stacking energy: -69.701
Base-Backbone interact. energy: -0.367
local terms energy: -68.417845
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -4.543
tors. eta vs tors. theta energy: -20.023
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: 10
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -196.721999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.721999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.721999 (E_RNA)
where:
Base-Base interactions energy: -125.978
where: short stacking energy: -50.775
Base-Backbone interact. energy: -1.506
local terms energy: -69.238543
where:
bonds (distance) C4'-P energy: -11.479
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -12.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -137.020211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.020211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.020211 (E_RNA)
where:
Base-Base interactions energy: -92.599
where: short stacking energy: -46.973
Base-Backbone interact. energy: -0.166
local terms energy: -44.255890
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -8.816
flat angles P-C4'-P energy: -2.833
tors. eta vs tors. theta energy: -6.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -74.576846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.576846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.576846 (E_RNA)
where:
Base-Base interactions energy: -25.737
where: short stacking energy: -25.643
Base-Backbone interact. energy: -0.292
local terms energy: -48.547978
where:
bonds (distance) C4'-P energy: -11.150
bonds (distance) P-C4' energy: -9.152
flat angles C4'-P-C4' energy: -11.146
flat angles P-C4'-P energy: -13.301
tors. eta vs tors. theta energy: -3.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -90.025334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.025334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.025334 (E_RNA)
where:
Base-Base interactions energy: -37.627
where: short stacking energy: -35.638
Base-Backbone interact. energy: -0.550
local terms energy: -51.848291
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -9.081
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -4.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -232.946236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.946236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.946236 (E_RNA)
where:
Base-Base interactions energy: -152.570
where: short stacking energy: -80.205
Base-Backbone interact. energy: -0.219
local terms energy: -80.156874
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -21.329
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: 8
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -231.622637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.622637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.622637 (E_RNA)
where:
Base-Base interactions energy: -149.715
where: short stacking energy: -75.503
Base-Backbone interact. energy: -0.026
local terms energy: -81.881857
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -12.576
tors. eta vs tors. theta energy: -24.405
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: 2
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -230.467522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.467522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.467522 (E_RNA)
where:
Base-Base interactions energy: -153.941
where: short stacking energy: -71.743
Base-Backbone interact. energy: -0.167
local terms energy: -76.359574
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -17.029
flat angles P-C4'-P energy: -7.336
tors. eta vs tors. theta energy: -20.393
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: 7
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -215.584255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.584255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.584255 (E_RNA)
where:
Base-Base interactions energy: -144.071
where: short stacking energy: -58.505
Base-Backbone interact. energy: -0.101
local terms energy: -71.411298
where:
bonds (distance) C4'-P energy: -12.585
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -12.904
tors. eta vs tors. theta energy: -19.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -209.684513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.684513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.684513 (E_RNA)
where:
Base-Base interactions energy: -148.125
where: short stacking energy: -51.827
Base-Backbone interact. energy: 0.665
local terms energy: -62.224524
where:
bonds (distance) C4'-P energy: -11.437
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -11.752
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: 96
Temperature: 1.150000
Total energy: -208.345550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.345550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.345550 (E_RNA)
where:
Base-Base interactions energy: -143.292
where: short stacking energy: -63.009
Base-Backbone interact. energy: -0.005
local terms energy: -65.047680
where:
bonds (distance) C4'-P energy: -10.443
bonds (distance) P-C4' energy: -12.521
flat angles C4'-P-C4' energy: -13.102
flat angles P-C4'-P energy: -12.003
tors. eta vs tors. theta energy: -16.979
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: 10
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -191.550000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.550000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.550000 (E_RNA)
where:
Base-Base interactions energy: -124.747
where: short stacking energy: -64.140
Base-Backbone interact. energy: -0.330
local terms energy: -66.472720
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -10.728
flat angles C4'-P-C4' energy: -12.400
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: -17.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -78.998050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.998050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.998050 (E_RNA)
where:
Base-Base interactions energy: -36.415
where: short stacking energy: -12.180
Base-Backbone interact. energy: 2.560
local terms energy: -45.143198
where:
bonds (distance) C4'-P energy: -10.784
bonds (distance) P-C4' energy: -14.111
flat angles C4'-P-C4' energy: -9.154
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: -1.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -83.898589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.898589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.898589 (E_RNA)
where:
Base-Base interactions energy: -31.748
where: short stacking energy: -31.748
Base-Backbone interact. energy: -0.127
local terms energy: -52.023658
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -14.065
flat angles C4'-P-C4' energy: -12.904
flat angles P-C4'-P energy: -5.986
tors. eta vs tors. theta energy: -6.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -81.906384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.906384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.906384 (E_RNA)
where:
Base-Base interactions energy: -31.625
where: short stacking energy: -31.625
Base-Backbone interact. energy: -0.129
local terms energy: -50.152928
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -13.066
flat angles P-C4'-P energy: -0.046
tors. eta vs tors. theta energy: -4.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -234.558909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.558909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.558909 (E_RNA)
where:
Base-Base interactions energy: -151.899
where: short stacking energy: -75.554
Base-Backbone interact. energy: -0.168
local terms energy: -82.491317
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: -22.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -225.799621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.799621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.799621 (E_RNA)
where:
Base-Base interactions energy: -151.138
where: short stacking energy: -73.120
Base-Backbone interact. energy: -1.394
local terms energy: -73.267128
where:
bonds (distance) C4'-P energy: -14.271
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -17.108
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -19.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -213.138553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.138553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.138553 (E_RNA)
where:
Base-Base interactions energy: -144.584
where: short stacking energy: -69.796
Base-Backbone interact. energy: -0.506
local terms energy: -68.048211
where:
bonds (distance) C4'-P energy: -11.050
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -16.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -217.145008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.145008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.145008 (E_RNA)
where:
Base-Base interactions energy: -144.509
where: short stacking energy: -71.848
Base-Backbone interact. energy: -0.003
local terms energy: -72.633503
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -21.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -205.276616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.276616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.276616 (E_RNA)
where:
Base-Base interactions energy: -136.288
where: short stacking energy: -55.845
Base-Backbone interact. energy: -0.281
local terms energy: -68.708147
where:
bonds (distance) C4'-P energy: -11.307
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -11.216
tors. eta vs tors. theta energy: -14.769
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: 6
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -203.705398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.705398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.705398 (E_RNA)
where:
Base-Base interactions energy: -134.252
where: short stacking energy: -57.221
Base-Backbone interact. energy: -0.075
local terms energy: -69.378571
where:
bonds (distance) C4'-P energy: -13.537
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -14.095
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -13.773
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: 10
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -188.727176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.727176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.727176 (E_RNA)
where:
Base-Base interactions energy: -121.071
where: short stacking energy: -55.537
Base-Backbone interact. energy: -0.293
local terms energy: -67.362991
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: -15.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -80.210008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.210008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.210008 (E_RNA)
where:
Base-Base interactions energy: -36.023
where: short stacking energy: -24.217
Base-Backbone interact. energy: 0.384
local terms energy: -44.570993
where:
bonds (distance) C4'-P energy: -10.808
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: 5.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -90.464574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.464574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.464574 (E_RNA)
where:
Base-Base interactions energy: -51.856
where: short stacking energy: -21.880
Base-Backbone interact. energy: -0.352
local terms energy: -38.256527
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -7.948
flat angles P-C4'-P energy: -3.267
tors. eta vs tors. theta energy: 1.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -81.319524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.319524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.319524 (E_RNA)
where:
Base-Base interactions energy: -28.100
where: short stacking energy: -28.100
Base-Backbone interact. energy: -0.716
local terms energy: -52.503186
where:
bonds (distance) C4'-P energy: -10.844
bonds (distance) P-C4' energy: -12.313
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -3.470
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: 2
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -230.604644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.604644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.604644 (E_RNA)
where:
Base-Base interactions energy: -153.310
where: short stacking energy: -82.055
Base-Backbone interact. energy: -1.110
local terms energy: -76.184719
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -23.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -232.493350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.493350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.493350 (E_RNA)
where:
Base-Base interactions energy: -153.421
where: short stacking energy: -73.517
Base-Backbone interact. energy: -0.002
local terms energy: -79.070261
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -15.320
flat angles C4'-P-C4' energy: -17.096
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: -21.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -223.176376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.176376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.176376 (E_RNA)
where:
Base-Base interactions energy: -146.073
where: short stacking energy: -69.878
Base-Backbone interact. energy: -0.024
local terms energy: -77.079541
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -12.164
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -14.183
tors. eta vs tors. theta energy: -19.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -220.270010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.270010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.270010 (E_RNA)
where:
Base-Base interactions energy: -143.782
where: short stacking energy: -80.136
Base-Backbone interact. energy: -0.943
local terms energy: -75.545701
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -17.072
flat angles P-C4'-P energy: -13.102
tors. eta vs tors. theta energy: -18.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -203.758324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.758324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.758324 (E_RNA)
where:
Base-Base interactions energy: -132.006
where: short stacking energy: -59.422
Base-Backbone interact. energy: -0.001
local terms energy: -71.751409
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -11.539
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -20.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -205.538273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.538273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.538273 (E_RNA)
where:
Base-Base interactions energy: -145.188
where: short stacking energy: -60.717
Base-Backbone interact. energy: 5.776
local terms energy: -66.125871
where:
bonds (distance) C4'-P energy: -13.501
bonds (distance) P-C4' energy: -11.921
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -10.560
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: 7, replica: 10
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -182.612344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.612344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.612344 (E_RNA)
where:
Base-Base interactions energy: -116.530
where: short stacking energy: -59.918
Base-Backbone interact. energy: -0.039
local terms energy: -66.043861
where:
bonds (distance) C4'-P energy: -11.602
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -12.437
flat angles P-C4'-P energy: -7.667
tors. eta vs tors. theta energy: -17.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -94.246279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.246279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.246279 (E_RNA)
where:
Base-Base interactions energy: -37.570
where: short stacking energy: -35.503
Base-Backbone interact. energy: -0.090
local terms energy: -56.586065
where:
bonds (distance) C4'-P energy: -9.363
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -17.029
flat angles P-C4'-P energy: -7.081
tors. eta vs tors. theta energy: -6.334
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: 9, replica: 5
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -91.412105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.412105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.412105 (E_RNA)
where:
Base-Base interactions energy: -30.655
where: short stacking energy: -30.655
Base-Backbone interact. energy: -0.020
local terms energy: -60.737474
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -13.112
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -7.161
tors. eta vs tors. theta energy: -12.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -76.349270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.349270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.349270 (E_RNA)
where:
Base-Base interactions energy: -33.633
where: short stacking energy: -26.261
Base-Backbone interact. energy: 0.121
local terms energy: -42.836661
where:
bonds (distance) C4'-P energy: -7.964
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -6.249
tors. eta vs tors. theta energy: -1.917
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: 1, replica: 2
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -229.647682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.647682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.647682 (E_RNA)
where:
Base-Base interactions energy: -149.520
where: short stacking energy: -71.934
Base-Backbone interact. energy: -0.024
local terms energy: -80.104498
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -17.311
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: -21.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -220.532594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.532594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.532594 (E_RNA)
where:
Base-Base interactions energy: -139.013
where: short stacking energy: -67.752
Base-Backbone interact. energy: -0.015
local terms energy: -81.504896
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -18.070
flat angles P-C4'-P energy: -14.549
tors. eta vs tors. theta energy: -20.098
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: 7
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -214.838755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.838755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.838755 (E_RNA)
where:
Base-Base interactions energy: -140.451
where: short stacking energy: -65.800
Base-Backbone interact. energy: -0.688
local terms energy: -73.700140
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -11.522
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -13.553
tors. eta vs tors. theta energy: -19.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -217.694892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.694892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.694892 (E_RNA)
where:
Base-Base interactions energy: -142.401
where: short stacking energy: -64.061
Base-Backbone interact. energy: -0.009
local terms energy: -75.285188
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -12.393
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -22.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -204.052192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.052192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.052192 (E_RNA)
where:
Base-Base interactions energy: -135.596
where: short stacking energy: -70.001
Base-Backbone interact. energy: -0.005
local terms energy: -68.451474
where:
bonds (distance) C4'-P energy: -12.199
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -15.176
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: 99
Temperature: 1.150000
Total energy: -218.060892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.060892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.060892 (E_RNA)
where:
Base-Base interactions energy: -158.700
where: short stacking energy: -64.327
Base-Backbone interact. energy: -0.121
local terms energy: -59.240490
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -11.462
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -6.283
tors. eta vs tors. theta energy: -15.023
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: 10
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -196.739845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.739845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.739845 (E_RNA)
where:
Base-Base interactions energy: -129.762
where: short stacking energy: -59.099
Base-Backbone interact. energy: -0.042
local terms energy: -66.936210
where:
bonds (distance) C4'-P energy: -9.220
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -12.872
tors. eta vs tors. theta energy: -16.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -125.651264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.651264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.651264 (E_RNA)
where:
Base-Base interactions energy: -64.231
where: short stacking energy: -31.299
Base-Backbone interact. energy: -0.673
local terms energy: -60.747126
where:
bonds (distance) C4'-P energy: -9.917
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -17.413
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -7.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -72.833205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.833205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.833205 (E_RNA)
where:
Base-Base interactions energy: -27.864
where: short stacking energy: -23.752
Base-Backbone interact. energy: 2.106
local terms energy: -47.074762
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -5.918
tors. eta vs tors. theta energy: 2.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -80.622717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.622717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.622717 (E_RNA)
where:
Base-Base interactions energy: -36.698
where: short stacking energy: -31.336
Base-Backbone interact. energy: -0.158
local terms energy: -43.766268
where:
bonds (distance) C4'-P energy: -11.444
bonds (distance) P-C4' energy: -11.197
flat angles C4'-P-C4' energy: -10.495
flat angles P-C4'-P energy: -5.334
tors. eta vs tors. theta energy: -5.295
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: 1, replica: 2
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -234.540839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.540839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.540839 (E_RNA)
where:
Base-Base interactions energy: -155.224
where: short stacking energy: -74.829
Base-Backbone interact. energy: -0.005
local terms energy: -79.311874
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -15.410
flat angles P-C4'-P energy: -13.257
tors. eta vs tors. theta energy: -22.560
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: 3
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -225.891000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.891000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.891000 (E_RNA)
where:
Base-Base interactions energy: -148.856
where: short stacking energy: -71.715
Base-Backbone interact. energy: -0.576
local terms energy: -76.459335
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -12.492
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -21.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -217.566277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.566277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.566277 (E_RNA)
where:
Base-Base interactions energy: -151.749
where: short stacking energy: -64.792
Base-Backbone interact. energy: -0.083
local terms energy: -65.734298
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -9.277
flat angles C4'-P-C4' energy: -11.057
flat angles P-C4'-P energy: -13.450
tors. eta vs tors. theta energy: -17.057
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: 7
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -222.028153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.028153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.028153 (E_RNA)
where:
Base-Base interactions energy: -151.875
where: short stacking energy: -75.278
Base-Backbone interact. energy: -0.163
local terms energy: -69.989806
where:
bonds (distance) C4'-P energy: -9.945
bonds (distance) P-C4' energy: -14.143
flat angles C4'-P-C4' energy: -14.522
flat angles P-C4'-P energy: -13.995
tors. eta vs tors. theta energy: -17.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -199.299729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.299729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.299729 (E_RNA)
where:
Base-Base interactions energy: -131.180
where: short stacking energy: -53.330
Base-Backbone interact. energy: -0.768
local terms energy: -67.351821
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -12.249
flat angles C4'-P-C4' energy: -16.253
flat angles P-C4'-P energy: -11.358
tors. eta vs tors. theta energy: -13.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -196.415862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.415862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.415862 (E_RNA)
where:
Base-Base interactions energy: -118.805
where: short stacking energy: -52.027
Base-Backbone interact. energy: -0.255
local terms energy: -77.355851
where:
bonds (distance) C4'-P energy: -17.622
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -15.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -185.634321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.634321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.634321 (E_RNA)
where:
Base-Base interactions energy: -128.434
where: short stacking energy: -61.353
Base-Backbone interact. energy: -0.102
local terms energy: -57.098056
where:
bonds (distance) C4'-P energy: -5.512
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -11.648
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -14.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -131.454197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.454197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.454197 (E_RNA)
where:
Base-Base interactions energy: -72.319
where: short stacking energy: -26.046
Base-Backbone interact. energy: -0.165
local terms energy: -58.970369
where:
bonds (distance) C4'-P energy: -12.399
bonds (distance) P-C4' energy: -16.187
flat angles C4'-P-C4' energy: -16.357
flat angles P-C4'-P energy: -9.127
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: 9, replica: 1
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -83.495529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.495529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.495529 (E_RNA)
where:
Base-Base interactions energy: -31.412
where: short stacking energy: -31.412
Base-Backbone interact. energy: -0.170
local terms energy: -51.914109
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -13.795
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -3.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -79.732868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.732868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.732868 (E_RNA)
where:
Base-Base interactions energy: -26.539
where: short stacking energy: -26.539
Base-Backbone interact. energy: -0.072
local terms energy: -53.120914
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -11.568
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -2.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -229.351942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.351942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.351942 (E_RNA)
where:
Base-Base interactions energy: -155.094
where: short stacking energy: -74.209
Base-Backbone interact. energy: -0.002
local terms energy: -74.256060
where:
bonds (distance) C4'-P energy: -10.078
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -21.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -223.621587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.621587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.621587 (E_RNA)
where:
Base-Base interactions energy: -155.776
where: short stacking energy: -72.929
Base-Backbone interact. energy: -0.504
local terms energy: -67.341557
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -8.137
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -9.291
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: 3, replica: 3
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -223.278127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.278127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.278127 (E_RNA)
where:
Base-Base interactions energy: -152.648
where: short stacking energy: -74.861
Base-Backbone interact. energy: -0.020
local terms energy: -70.609973
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -11.673
flat angles C4'-P-C4' energy: -12.739
flat angles P-C4'-P energy: -13.510
tors. eta vs tors. theta energy: -20.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -225.209152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.209152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.209152 (E_RNA)
where:
Base-Base interactions energy: -149.738
where: short stacking energy: -71.216
Base-Backbone interact. energy: -0.592
local terms energy: -74.879365
where:
bonds (distance) C4'-P energy: -9.942
bonds (distance) P-C4' energy: -18.443
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: -21.262
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: 4
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -203.021306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.021306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.021306 (E_RNA)
where:
Base-Base interactions energy: -139.620
where: short stacking energy: -59.233
Base-Backbone interact. energy: -0.086
local terms energy: -63.315120
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -8.741
flat angles C4'-P-C4' energy: -11.362
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -17.239
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: 10
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -185.679515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.679515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.679515 (E_RNA)
where:
Base-Base interactions energy: -123.501
where: short stacking energy: -53.841
Base-Backbone interact. energy: -0.522
local terms energy: -61.656636
where:
bonds (distance) C4'-P energy: -8.608
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -13.326
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -13.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -189.411607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.411607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.411607 (E_RNA)
where:
Base-Base interactions energy: -123.797
where: short stacking energy: -57.215
Base-Backbone interact. energy: -0.946
local terms energy: -64.667970
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -10.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -83.684623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.684623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.684623 (E_RNA)
where:
Base-Base interactions energy: -35.583
where: short stacking energy: -20.211
Base-Backbone interact. energy: -1.163
local terms energy: -46.938951
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -11.285
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -3.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -86.965149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.965149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.965149 (E_RNA)
where:
Base-Base interactions energy: -46.851
where: short stacking energy: -43.155
Base-Backbone interact. energy: -1.415
local terms energy: -38.699537
where:
bonds (distance) C4'-P energy: -12.270
bonds (distance) P-C4' energy: -6.334
flat angles C4'-P-C4' energy: -7.544
flat angles P-C4'-P energy: -4.722
tors. eta vs tors. theta energy: -7.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -79.925282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.925282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.925282 (E_RNA)
where:
Base-Base interactions energy: -29.788
where: short stacking energy: -28.153
Base-Backbone interact. energy: -0.200
local terms energy: -49.936414
where:
bonds (distance) C4'-P energy: -13.153
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -7.121
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -6.826
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: 2
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -233.623826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.623826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.623826 (E_RNA)
where:
Base-Base interactions energy: -153.668
where: short stacking energy: -75.260
Base-Backbone interact. energy: -0.323
local terms energy: -79.632575
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -12.664
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: -23.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -228.968925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.968925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.968925 (E_RNA)
where:
Base-Base interactions energy: -153.893
where: short stacking energy: -75.847
Base-Backbone interact. energy: -0.002
local terms energy: -75.073332
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -14.844
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -21.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -220.792700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.792700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.792700 (E_RNA)
where:
Base-Base interactions energy: -142.865
where: short stacking energy: -68.820
Base-Backbone interact. energy: -0.000
local terms energy: -77.927162
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -16.116
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -21.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -216.175069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.175069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.175069 (E_RNA)
where:
Base-Base interactions energy: -146.748
where: short stacking energy: -73.529
Base-Backbone interact. energy: -0.000
local terms energy: -69.426707
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -8.169
tors. eta vs tors. theta energy: -17.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -212.920459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.920459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.920459 (E_RNA)
where:
Base-Base interactions energy: -140.789
where: short stacking energy: -59.410
Base-Backbone interact. energy: 3.116
local terms energy: -75.247795
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -10.578
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: 6, replica: 10
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -184.916328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.916328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.916328 (E_RNA)
where:
Base-Base interactions energy: -126.527
where: short stacking energy: -56.023
Base-Backbone interact. energy: -0.773
local terms energy: -57.616888
where:
bonds (distance) C4'-P energy: -7.857
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -12.402
flat angles P-C4'-P energy: -7.086
tors. eta vs tors. theta energy: -15.525
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: 8
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -201.797930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.797930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.797930 (E_RNA)
where:
Base-Base interactions energy: -132.400
where: short stacking energy: -62.256
Base-Backbone interact. energy: -0.807
local terms energy: -68.591215
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -9.267
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -12.730
tors. eta vs tors. theta energy: -19.505
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: 1
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -101.226553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.226553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.226553 (E_RNA)
where:
Base-Base interactions energy: -46.781
where: short stacking energy: -29.507
Base-Backbone interact. energy: -0.493
local terms energy: -53.953517
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -4.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -87.207283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.207283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.207283 (E_RNA)
where:
Base-Base interactions energy: -32.782
where: short stacking energy: -32.115
Base-Backbone interact. energy: -0.358
local terms energy: -54.067814
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -12.127
flat angles P-C4'-P energy: -9.647
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: 10, replica: 5
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -71.402856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.402856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.402856 (E_RNA)
where:
Base-Base interactions energy: -23.618
where: short stacking energy: -22.363
Base-Backbone interact. energy: -0.308
local terms energy: -47.476383
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -6.945
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -1.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -233.906367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.906367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.906367 (E_RNA)
where:
Base-Base interactions energy: -155.820
where: short stacking energy: -78.900
Base-Backbone interact. energy: -0.004
local terms energy: -78.082245
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -18.105
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -20.433
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: 7
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -225.627417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.627417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.627417 (E_RNA)
where:
Base-Base interactions energy: -148.555
where: short stacking energy: -79.234
Base-Backbone interact. energy: -0.000
local terms energy: -77.072012
where:
bonds (distance) C4'-P energy: -12.235
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -22.522
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: 6
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -222.655357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.655357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.655357 (E_RNA)
where:
Base-Base interactions energy: -146.354
where: short stacking energy: -69.369
Base-Backbone interact. energy: -0.709
local terms energy: -75.592447
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -10.890
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: 4, replica: 4
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -213.167192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.167192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.167192 (E_RNA)
where:
Base-Base interactions energy: -137.110
where: short stacking energy: -61.051
Base-Backbone interact. energy: -0.131
local terms energy: -75.926473
where:
bonds (distance) C4'-P energy: -14.427
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -17.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -202.402089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.402089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.402089 (E_RNA)
where:
Base-Base interactions energy: -133.942
where: short stacking energy: -68.163
Base-Backbone interact. energy: -0.344
local terms energy: -68.116699
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -12.609
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -18.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -205.876227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.876227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.876227 (E_RNA)
where:
Base-Base interactions energy: -134.893
where: short stacking energy: -59.176
Base-Backbone interact. energy: -0.307
local terms energy: -70.676452
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -17.893
flat angles P-C4'-P energy: -7.878
tors. eta vs tors. theta energy: -17.855
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: 10
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -199.765560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.765560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.765560 (E_RNA)
where:
Base-Base interactions energy: -133.370
where: short stacking energy: -61.782
Base-Backbone interact. energy: -0.197
local terms energy: -66.198246
where:
bonds (distance) C4'-P energy: -7.045
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -18.056
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -17.916
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: 103
Temperature: 1.250000
Total energy: -83.583646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.583646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.583646 (E_RNA)
where:
Base-Base interactions energy: -25.946
where: short stacking energy: -21.024
Base-Backbone interact. energy: -0.173
local terms energy: -57.464996
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -11.307
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: -5.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -87.283913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.283913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.283913 (E_RNA)
where:
Base-Base interactions energy: -50.611
where: short stacking energy: -22.004
Base-Backbone interact. energy: -0.843
local terms energy: -35.829536
where:
bonds (distance) C4'-P energy: -6.047
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -11.699
flat angles P-C4'-P energy: -1.675
tors. eta vs tors. theta energy: -2.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -80.347739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.347739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.347739 (E_RNA)
where:
Base-Base interactions energy: -34.643
where: short stacking energy: -29.101
Base-Backbone interact. energy: 2.773
local terms energy: -48.477721
where:
bonds (distance) C4'-P energy: -10.465
bonds (distance) P-C4' energy: -14.979
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -4.258
tors. eta vs tors. theta energy: -4.974
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: 7
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -235.347504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.347504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.347504 (E_RNA)
where:
Base-Base interactions energy: -160.159
where: short stacking energy: -76.276
Base-Backbone interact. energy: -0.001
local terms energy: -75.187895
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -11.268
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -21.546
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: 2
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -226.013325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.013325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.013325 (E_RNA)
where:
Base-Base interactions energy: -154.289
where: short stacking energy: -71.442
Base-Backbone interact. energy: -0.000
local terms energy: -71.724345
where:
bonds (distance) C4'-P energy: -12.328
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -19.832
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: 6
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -223.217113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.217113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.217113 (E_RNA)
where:
Base-Base interactions energy: -146.436
where: short stacking energy: -70.941
Base-Backbone interact. energy: -0.001
local terms energy: -76.780551
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -13.694
tors. eta vs tors. theta energy: -18.202
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: 104
Temperature: 1.050000
Total energy: -217.117889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.117889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.117889 (E_RNA)
where:
Base-Base interactions energy: -147.901
where: short stacking energy: -55.628
Base-Backbone interact. energy: -0.169
local terms energy: -69.048355
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -7.828
tors. eta vs tors. theta energy: -17.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -211.736707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.736707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.736707 (E_RNA)
where:
Base-Base interactions energy: -141.936
where: short stacking energy: -65.493
Base-Backbone interact. energy: -0.223
local terms energy: -69.577824
where:
bonds (distance) C4'-P energy: -15.078
bonds (distance) P-C4' energy: -10.731
flat angles C4'-P-C4' energy: -12.043
flat angles P-C4'-P energy: -11.554
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: 6, replica: 3
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -203.059236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.059236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.059236 (E_RNA)
where:
Base-Base interactions energy: -125.772
where: short stacking energy: -66.409
Base-Backbone interact. energy: -0.606
local terms energy: -76.680978
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -17.387
flat angles C4'-P-C4' energy: -17.093
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -18.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -199.030357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.030357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.030357 (E_RNA)
where:
Base-Base interactions energy: -124.440
where: short stacking energy: -55.537
Base-Backbone interact. energy: -0.087
local terms energy: -74.502704
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -12.859
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: -17.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -85.646367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.646367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.646367 (E_RNA)
where:
Base-Base interactions energy: -30.338
where: short stacking energy: -31.638
Base-Backbone interact. energy: -0.081
local terms energy: -55.227253
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -17.457
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -4.671
tors. eta vs tors. theta energy: -9.176
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: 5
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -100.672256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.672256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.672256 (E_RNA)
where:
Base-Base interactions energy: -55.955
where: short stacking energy: -24.199
Base-Backbone interact. energy: -0.271
local terms energy: -44.446161
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -8.846
flat angles C4'-P-C4' energy: -13.059
flat angles P-C4'-P energy: -9.939
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: 10, replica: 1
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -77.546419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.546419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.546419 (E_RNA)
where:
Base-Base interactions energy: -34.440
where: short stacking energy: -28.666
Base-Backbone interact. energy: 2.207
local terms energy: -45.313358
where:
bonds (distance) C4'-P energy: -8.690
bonds (distance) P-C4' energy: -9.166
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -12.231
tors. eta vs tors. theta energy: -2.353
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: 7
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -226.284414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.284414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.284414 (E_RNA)
where:
Base-Base interactions energy: -143.515
where: short stacking energy: -66.125
Base-Backbone interact. energy: -0.034
local terms energy: -82.735494
where:
bonds (distance) C4'-P energy: -15.575
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -16.899
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -20.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -226.190915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.190915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.190915 (E_RNA)
where:
Base-Base interactions energy: -146.747
where: short stacking energy: -75.939
Base-Backbone interact. energy: -0.217
local terms energy: -79.226506
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: -20.835
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: 2
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -207.745180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.745180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.745180 (E_RNA)
where:
Base-Base interactions energy: -137.617
where: short stacking energy: -64.212
Base-Backbone interact. energy: -0.166
local terms energy: -69.962375
where:
bonds (distance) C4'-P energy: -9.910
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -12.532
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -19.946
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: 4
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -215.909684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.909684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.909684 (E_RNA)
where:
Base-Base interactions energy: -152.294
where: short stacking energy: -61.058
Base-Backbone interact. energy: -0.147
local terms energy: -63.468530
where:
bonds (distance) C4'-P energy: -11.187
bonds (distance) P-C4' energy: -11.110
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -13.023
tors. eta vs tors. theta energy: -13.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -191.476316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.476316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.476316 (E_RNA)
where:
Base-Base interactions energy: -136.067
where: short stacking energy: -63.147
Base-Backbone interact. energy: 0.222
local terms energy: -55.630927
where:
bonds (distance) C4'-P energy: -5.574
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -10.348
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -10.972
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: 6, replica: 10
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -188.181241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.181241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.181241 (E_RNA)
where:
Base-Base interactions energy: -127.818
where: short stacking energy: -65.708
Base-Backbone interact. energy: -0.414
local terms energy: -59.949541
where:
bonds (distance) C4'-P energy: -8.154
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: -12.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -185.743257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.743257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.743257 (E_RNA)
where:
Base-Base interactions energy: -112.959
where: short stacking energy: -50.655
Base-Backbone interact. energy: -0.013
local terms energy: -72.771263
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -13.645
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -19.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -110.828808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.828808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.828808 (E_RNA)
where:
Base-Base interactions energy: -54.460
where: short stacking energy: -39.155
Base-Backbone interact. energy: -0.159
local terms energy: -56.208911
where:
bonds (distance) C4'-P energy: -9.854
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -6.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -85.688797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.688797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.688797 (E_RNA)
where:
Base-Base interactions energy: -30.649
where: short stacking energy: -30.649
Base-Backbone interact. energy: -0.078
local terms energy: -54.961940
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -7.657
tors. eta vs tors. theta energy: -6.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -78.410954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.410954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.410954 (E_RNA)
where:
Base-Base interactions energy: -27.139
where: short stacking energy: -26.677
Base-Backbone interact. energy: -0.234
local terms energy: -51.038157
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -7.834
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -4.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -228.485240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.485240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.485240 (E_RNA)
where:
Base-Base interactions energy: -148.887
where: short stacking energy: -70.065
Base-Backbone interact. energy: -0.012
local terms energy: -79.586209
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -15.084
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -12.833
tors. eta vs tors. theta energy: -19.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -223.828177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.828177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.828177 (E_RNA)
where:
Base-Base interactions energy: -142.806
where: short stacking energy: -74.161
Base-Backbone interact. energy: -0.008
local terms energy: -81.014620
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -12.842
tors. eta vs tors. theta energy: -21.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -223.396394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.396394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.396394 (E_RNA)
where:
Base-Base interactions energy: -145.048
where: short stacking energy: -71.134
Base-Backbone interact. energy: -0.240
local terms energy: -78.108571
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -17.776
flat angles P-C4'-P energy: -13.744
tors. eta vs tors. theta energy: -19.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -221.223357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.223357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.223357 (E_RNA)
where:
Base-Base interactions energy: -151.813
where: short stacking energy: -65.507
Base-Backbone interact. energy: -0.242
local terms energy: -69.168418
where:
bonds (distance) C4'-P energy: -6.841
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: -19.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -200.953989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.953989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.953989 (E_RNA)
where:
Base-Base interactions energy: -134.832
where: short stacking energy: -61.409
Base-Backbone interact. energy: -0.004
local terms energy: -66.117706
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -13.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -198.391518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.391518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.391518 (E_RNA)
where:
Base-Base interactions energy: -133.630
where: short stacking energy: -56.735
Base-Backbone interact. energy: -0.039
local terms energy: -64.722859
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -4.508
tors. eta vs tors. theta energy: -16.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -192.532722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.532722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.532722 (E_RNA)
where:
Base-Base interactions energy: -129.457
where: short stacking energy: -59.735
Base-Backbone interact. energy: -0.043
local terms energy: -63.032302
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -14.422
flat angles C4'-P-C4' energy: -11.912
flat angles P-C4'-P energy: -5.350
tors. eta vs tors. theta energy: -18.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -93.998430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.998430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.998430 (E_RNA)
where:
Base-Base interactions energy: -44.606
where: short stacking energy: -31.887
Base-Backbone interact. energy: -0.587
local terms energy: -48.805547
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -11.458
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: -1.280
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: 1
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -81.545094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.545094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.545094 (E_RNA)
where:
Base-Base interactions energy: -33.959
where: short stacking energy: -23.876
Base-Backbone interact. energy: 0.113
local terms energy: -47.699529
where:
bonds (distance) C4'-P energy: -12.034
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -12.970
flat angles P-C4'-P energy: -7.707
tors. eta vs tors. theta energy: -1.672
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: 9
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -79.969685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.969685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.969685 (E_RNA)
where:
Base-Base interactions energy: -27.289
where: short stacking energy: -26.108
Base-Backbone interact. energy: 0.009
local terms energy: -52.689840
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -11.488
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -3.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -228.397730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.397730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.397730 (E_RNA)
where:
Base-Base interactions energy: -154.142
where: short stacking energy: -75.027
Base-Backbone interact. energy: -0.001
local terms energy: -74.254482
where:
bonds (distance) C4'-P energy: -16.968
bonds (distance) P-C4' energy: -11.908
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -20.858
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: 2
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -223.137744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.137744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.137744 (E_RNA)
where:
Base-Base interactions energy: -146.680
where: short stacking energy: -68.584
Base-Backbone interact. energy: -0.001
local terms energy: -76.456604
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: -16.996
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: 3, replica: 7
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -225.972869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.972869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.972869 (E_RNA)
where:
Base-Base interactions energy: -158.321
where: short stacking energy: -80.125
Base-Backbone interact. energy: -0.374
local terms energy: -67.277945
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -12.365
flat angles C4'-P-C4' energy: -11.355
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -20.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -203.755413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.755413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.755413 (E_RNA)
where:
Base-Base interactions energy: -133.064
where: short stacking energy: -62.012
Base-Backbone interact. energy: -0.180
local terms energy: -70.510765
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -17.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -208.508081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.508081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.508081 (E_RNA)
where:
Base-Base interactions energy: -140.576
where: short stacking energy: -56.891
Base-Backbone interact. energy: -0.653
local terms energy: -67.279155
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -12.477
flat angles C4'-P-C4' energy: -18.709
flat angles P-C4'-P energy: -7.425
tors. eta vs tors. theta energy: -13.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -149.195511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.195511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.195511 (E_RNA)
where:
Base-Base interactions energy: -82.398
where: short stacking energy: -41.299
Base-Backbone interact. energy: -0.563
local terms energy: -66.234676
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -10.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -179.446488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.446488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.446488 (E_RNA)
where:
Base-Base interactions energy: -115.170
where: short stacking energy: -53.658
Base-Backbone interact. energy: -0.111
local terms energy: -64.165414
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -8.869
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: -15.055
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: 5
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -94.854307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.854307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.854307 (E_RNA)
where:
Base-Base interactions energy: -47.553
where: short stacking energy: -22.351
Base-Backbone interact. energy: 5.960
local terms energy: -53.260873
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -2.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -89.469333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.469333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.469333 (E_RNA)
where:
Base-Base interactions energy: -33.420
where: short stacking energy: -33.420
Base-Backbone interact. energy: 1.003
local terms energy: -57.052541
where:
bonds (distance) C4'-P energy: -10.844
bonds (distance) P-C4' energy: -10.624
flat angles C4'-P-C4' energy: -15.163
flat angles P-C4'-P energy: -13.610
tors. eta vs tors. theta energy: -6.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -98.196313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.196313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.196313 (E_RNA)
where:
Base-Base interactions energy: -56.643
where: short stacking energy: -33.253
Base-Backbone interact. energy: -0.431
local terms energy: -41.122435
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -7.591
flat angles P-C4'-P energy: -2.659
tors. eta vs tors. theta energy: -1.757
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: 1, replica: 6
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -230.784516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.784516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.784516 (E_RNA)
where:
Base-Base interactions energy: -157.126
where: short stacking energy: -73.814
Base-Backbone interact. energy: -0.131
local terms energy: -73.527058
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -12.495
flat angles P-C4'-P energy: -7.374
tors. eta vs tors. theta energy: -20.925
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: 2
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -219.377491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.377491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.377491 (E_RNA)
where:
Base-Base interactions energy: -144.523
where: short stacking energy: -71.884
Base-Backbone interact. energy: -0.037
local terms energy: -74.817483
where:
bonds (distance) C4'-P energy: -15.219
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -8.849
tors. eta vs tors. theta energy: -20.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -222.705238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.705238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.705238 (E_RNA)
where:
Base-Base interactions energy: -141.737
where: short stacking energy: -70.954
Base-Backbone interact. energy: -0.502
local terms energy: -80.466999
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -13.053
tors. eta vs tors. theta energy: -20.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -225.007133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.007133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.007133 (E_RNA)
where:
Base-Base interactions energy: -152.081
where: short stacking energy: -66.085
Base-Backbone interact. energy: -0.177
local terms energy: -72.749935
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -16.793
flat angles P-C4'-P energy: -6.949
tors. eta vs tors. theta energy: -16.047
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: 4
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -206.079664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.079664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.079664 (E_RNA)
where:
Base-Base interactions energy: -143.910
where: short stacking energy: -52.399
Base-Backbone interact. energy: -0.128
local terms energy: -62.041666
where:
bonds (distance) C4'-P energy: -11.558
bonds (distance) P-C4' energy: -13.369
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: -11.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -143.024199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.024199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.024199 (E_RNA)
where:
Base-Base interactions energy: -90.803
where: short stacking energy: -34.563
Base-Backbone interact. energy: -0.231
local terms energy: -51.990105
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -13.636
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -5.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -112.664082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.664082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.664082 (E_RNA)
where:
Base-Base interactions energy: -72.087
where: short stacking energy: -32.491
Base-Backbone interact. energy: -1.532
local terms energy: -39.044771
where:
bonds (distance) C4'-P energy: -8.079
bonds (distance) P-C4' energy: -10.162
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -3.070
tors. eta vs tors. theta energy: -3.952
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: 8
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -182.887730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.887730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.887730 (E_RNA)
where:
Base-Base interactions energy: -123.627
where: short stacking energy: -55.995
Base-Backbone interact. energy: -0.000
local terms energy: -59.260114
where:
bonds (distance) C4'-P energy: -11.338
bonds (distance) P-C4' energy: -8.081
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: -15.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -80.894241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.894241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.894241 (E_RNA)
where:
Base-Base interactions energy: -36.159
where: short stacking energy: -29.360
Base-Backbone interact. energy: -0.068
local terms energy: -44.667053
where:
bonds (distance) C4'-P energy: -9.064
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -3.005
tors. eta vs tors. theta energy: -2.375
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: 1
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -78.746679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.746679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.746679 (E_RNA)
where:
Base-Base interactions energy: -31.544
where: short stacking energy: -27.157
Base-Backbone interact. energy: -1.210
local terms energy: -45.992403
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -6.017
flat angles P-C4'-P energy: -7.273
tors. eta vs tors. theta energy: -2.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -235.457869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.457869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.457869 (E_RNA)
where:
Base-Base interactions energy: -155.599
where: short stacking energy: -72.350
Base-Backbone interact. energy: -1.395
local terms energy: -78.464122
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -19.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -218.082068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.082068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.082068 (E_RNA)
where:
Base-Base interactions energy: -139.327
where: short stacking energy: -75.383
Base-Backbone interact. energy: -0.001
local terms energy: -78.753646
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -17.075
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -10.311
tors. eta vs tors. theta energy: -22.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -227.506000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.506000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.506000 (E_RNA)
where:
Base-Base interactions energy: -147.798
where: short stacking energy: -73.971
Base-Backbone interact. energy: -0.002
local terms energy: -79.705764
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -12.725
tors. eta vs tors. theta energy: -20.830
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: 109
Temperature: 1.050000
Total energy: -219.524420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.524420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.524420 (E_RNA)
where:
Base-Base interactions energy: -143.921
where: short stacking energy: -71.402
Base-Backbone interact. energy: -0.834
local terms energy: -74.769687
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -6.581
tors. eta vs tors. theta energy: -23.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -203.175329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.175329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.175329 (E_RNA)
where:
Base-Base interactions energy: -143.227
where: short stacking energy: -57.691
Base-Backbone interact. energy: -0.076
local terms energy: -59.872842
where:
bonds (distance) C4'-P energy: -9.185
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -9.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -136.554100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.554100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.554100 (E_RNA)
where:
Base-Base interactions energy: -79.067
where: short stacking energy: -43.948
Base-Backbone interact. energy: -2.757
local terms energy: -54.729402
where:
bonds (distance) C4'-P energy: -12.181
bonds (distance) P-C4' energy: -14.431
flat angles C4'-P-C4' energy: -9.912
flat angles P-C4'-P energy: -9.804
tors. eta vs tors. theta energy: -8.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -106.248108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.248108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.248108 (E_RNA)
where:
Base-Base interactions energy: -54.395
where: short stacking energy: -28.833
Base-Backbone interact. energy: -0.254
local terms energy: -51.599063
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -5.554
tors. eta vs tors. theta energy: -2.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -182.633728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.633728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.633728 (E_RNA)
where:
Base-Base interactions energy: -114.235
where: short stacking energy: -53.558
Base-Backbone interact. energy: -0.269
local terms energy: -68.129740
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -12.791
tors. eta vs tors. theta energy: -14.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -85.227211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.227211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.227211 (E_RNA)
where:
Base-Base interactions energy: -25.091
where: short stacking energy: -24.996
Base-Backbone interact. energy: -0.290
local terms energy: -59.846585
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -2.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -87.772158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.772158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.772158 (E_RNA)
where:
Base-Base interactions energy: -36.958
where: short stacking energy: -26.512
Base-Backbone interact. energy: -0.108
local terms energy: -50.705652
where:
bonds (distance) C4'-P energy: -13.886
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -10.156
flat angles P-C4'-P energy: -3.463
tors. eta vs tors. theta energy: -7.900
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: 6
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -234.189799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.189799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.189799 (E_RNA)
where:
Base-Base interactions energy: -152.878
where: short stacking energy: -76.269
Base-Backbone interact. energy: -0.290
local terms energy: -81.021668
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -14.791
flat angles P-C4'-P energy: -14.242
tors. eta vs tors. theta energy: -21.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -231.013179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.013179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.013179 (E_RNA)
where:
Base-Base interactions energy: -148.962
where: short stacking energy: -74.998
Base-Backbone interact. energy: -0.216
local terms energy: -81.835092
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -12.953
tors. eta vs tors. theta energy: -21.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -224.581501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.581501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.581501 (E_RNA)
where:
Base-Base interactions energy: -147.905
where: short stacking energy: -74.479
Base-Backbone interact. energy: -0.008
local terms energy: -76.668689
where:
bonds (distance) C4'-P energy: -15.688
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -17.596
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -17.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -213.809253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.809253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.809253 (E_RNA)
where:
Base-Base interactions energy: -138.019
where: short stacking energy: -66.997
Base-Backbone interact. energy: -0.670
local terms energy: -75.119879
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -7.444
tors. eta vs tors. theta energy: -19.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -210.851945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.851945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.851945 (E_RNA)
where:
Base-Base interactions energy: -144.548
where: short stacking energy: -62.871
Base-Backbone interact. energy: 1.186
local terms energy: -67.489285
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -12.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -111.592731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.592731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.592731 (E_RNA)
where:
Base-Base interactions energy: -67.886
where: short stacking energy: -41.468
Base-Backbone interact. energy: 1.287
local terms energy: -44.993103
where:
bonds (distance) C4'-P energy: -10.931
bonds (distance) P-C4' energy: -11.206
flat angles C4'-P-C4' energy: -10.636
flat angles P-C4'-P energy: -6.087
tors. eta vs tors. theta energy: -6.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -191.505059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.505059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.505059 (E_RNA)
where:
Base-Base interactions energy: -126.352
where: short stacking energy: -59.360
Base-Backbone interact. energy: -0.121
local terms energy: -65.032470
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -11.760
flat angles P-C4'-P energy: -7.492
tors. eta vs tors. theta energy: -15.365
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: 3
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -99.508464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.508464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.508464 (E_RNA)
where:
Base-Base interactions energy: -56.942
where: short stacking energy: -37.969
Base-Backbone interact. energy: -0.383
local terms energy: -42.182856
where:
bonds (distance) C4'-P energy: -7.230
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -8.390
flat angles P-C4'-P energy: -8.156
tors. eta vs tors. theta energy: -4.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -99.839751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.839751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.839751 (E_RNA)
where:
Base-Base interactions energy: -45.258
where: short stacking energy: -40.550
Base-Backbone interact. energy: 1.098
local terms energy: -55.679096
where:
bonds (distance) C4'-P energy: -11.354
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: -6.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -72.214416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.214416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.214416 (E_RNA)
where:
Base-Base interactions energy: -24.863
where: short stacking energy: -19.982
Base-Backbone interact. energy: -0.042
local terms energy: -47.309694
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -14.798
flat angles C4'-P-C4' energy: -11.795
flat angles P-C4'-P energy: -5.379
tors. eta vs tors. theta energy: -0.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -230.607274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.607274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.607274 (E_RNA)
where:
Base-Base interactions energy: -158.238
where: short stacking energy: -74.412
Base-Backbone interact. energy: -0.001
local terms energy: -72.367413
where:
bonds (distance) C4'-P energy: -9.864
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -22.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -211.185396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.185396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.185396 (E_RNA)
where:
Base-Base interactions energy: -142.283
where: short stacking energy: -68.257
Base-Backbone interact. energy: -0.754
local terms energy: -68.149037
where:
bonds (distance) C4'-P energy: -10.017
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -8.617
tors. eta vs tors. theta energy: -18.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -219.527086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.527086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.527086 (E_RNA)
where:
Base-Base interactions energy: -148.597
where: short stacking energy: -71.124
Base-Backbone interact. energy: -0.005
local terms energy: -70.924623
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -20.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -220.472594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.472594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.472594 (E_RNA)
where:
Base-Base interactions energy: -151.868
where: short stacking energy: -68.633
Base-Backbone interact. energy: -0.071
local terms energy: -68.532995
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -16.165
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -7.773
tors. eta vs tors. theta energy: -16.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -219.520234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.520234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.520234 (E_RNA)
where:
Base-Base interactions energy: -142.943
where: short stacking energy: -65.831
Base-Backbone interact. energy: -0.938
local terms energy: -75.639154
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: -19.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -191.387967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.387967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.387967 (E_RNA)
where:
Base-Base interactions energy: -119.603
where: short stacking energy: -58.264
Base-Backbone interact. energy: -0.635
local terms energy: -71.149474
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -18.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -150.512448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.512448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.512448 (E_RNA)
where:
Base-Base interactions energy: -90.293
where: short stacking energy: -43.916
Base-Backbone interact. energy: -0.177
local terms energy: -60.042211
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -10.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -90.997493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.997493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.997493 (E_RNA)
where:
Base-Base interactions energy: -33.711
where: short stacking energy: -32.555
Base-Backbone interact. energy: -0.154
local terms energy: -57.133148
where:
bonds (distance) C4'-P energy: -7.314
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -13.267
tors. eta vs tors. theta energy: -5.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -90.239654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.239654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.239654 (E_RNA)
where:
Base-Base interactions energy: -44.922
where: short stacking energy: -26.134
Base-Backbone interact. energy: -0.359
local terms energy: -44.958432
where:
bonds (distance) C4'-P energy: -8.034
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -5.096
tors. eta vs tors. theta energy: -4.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -72.774528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.774528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.774528 (E_RNA)
where:
Base-Base interactions energy: -32.097
where: short stacking energy: -26.975
Base-Backbone interact. energy: 0.362
local terms energy: -41.038971
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -11.104
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -6.836
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: 2
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -229.701879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.701879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.701879 (E_RNA)
where:
Base-Base interactions energy: -155.394
where: short stacking energy: -75.341
Base-Backbone interact. energy: -0.191
local terms energy: -74.116962
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -18.293
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -17.289
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: 6
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -230.025946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.025946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.025946 (E_RNA)
where:
Base-Base interactions energy: -149.951
where: short stacking energy: -75.099
Base-Backbone interact. energy: -0.003
local terms energy: -80.071783
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -18.081
flat angles P-C4'-P energy: -12.680
tors. eta vs tors. theta energy: -21.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -217.208660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.208660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.208660 (E_RNA)
where:
Base-Base interactions energy: -146.105
where: short stacking energy: -61.265
Base-Backbone interact. energy: -0.211
local terms energy: -70.893003
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -17.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -226.970295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.970295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.970295 (E_RNA)
where:
Base-Base interactions energy: -146.949
where: short stacking energy: -72.244
Base-Backbone interact. energy: -0.310
local terms energy: -79.711280
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -19.159
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -10.811
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: 5, replica: 8
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -202.730878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.730878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.730878 (E_RNA)
where:
Base-Base interactions energy: -130.436
where: short stacking energy: -61.807
Base-Backbone interact. energy: -0.417
local terms energy: -71.878144
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -18.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -211.904835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.904835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.904835 (E_RNA)
where:
Base-Base interactions energy: -135.532
where: short stacking energy: -71.240
Base-Backbone interact. energy: -1.224
local terms energy: -75.148699
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -21.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -176.628413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.628413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.628413 (E_RNA)
where:
Base-Base interactions energy: -109.497
where: short stacking energy: -40.953
Base-Backbone interact. energy: -0.139
local terms energy: -66.992965
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -18.405
flat angles P-C4'-P energy: -7.499
tors. eta vs tors. theta energy: -10.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -93.553681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.553681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.553681 (E_RNA)
where:
Base-Base interactions energy: -32.262
where: short stacking energy: -32.262
Base-Backbone interact. energy: -0.002
local terms energy: -61.289618
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -9.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -78.850105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.850105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.850105 (E_RNA)
where:
Base-Base interactions energy: -29.015
where: short stacking energy: -29.015
Base-Backbone interact. energy: -0.140
local terms energy: -49.694715
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -8.845
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -3.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -85.013254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.013254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.013254 (E_RNA)
where:
Base-Base interactions energy: -34.054
where: short stacking energy: -32.867
Base-Backbone interact. energy: -0.201
local terms energy: -50.758531
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -11.152
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: -0.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -232.090655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.090655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.090655 (E_RNA)
where:
Base-Base interactions energy: -156.033
where: short stacking energy: -64.695
Base-Backbone interact. energy: -0.005
local terms energy: -76.052477
where:
bonds (distance) C4'-P energy: -13.628
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -16.853
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -17.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -230.866347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.866347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.866347 (E_RNA)
where:
Base-Base interactions energy: -149.786
where: short stacking energy: -72.815
Base-Backbone interact. energy: -0.028
local terms energy: -81.051989
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -21.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -214.251708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.251708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.251708 (E_RNA)
where:
Base-Base interactions energy: -141.428
where: short stacking energy: -66.301
Base-Backbone interact. energy: -3.158
local terms energy: -69.665288
where:
bonds (distance) C4'-P energy: -13.571
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -16.501
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: 10
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -205.168274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.168274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.168274 (E_RNA)
where:
Base-Base interactions energy: -136.024
where: short stacking energy: -70.741
Base-Backbone interact. energy: -0.848
local terms energy: -68.296175
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -6.937
tors. eta vs tors. theta energy: -17.459
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: 8
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -218.135927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.135927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.135927 (E_RNA)
where:
Base-Base interactions energy: -141.594
where: short stacking energy: -68.845
Base-Backbone interact. energy: -0.171
local terms energy: -76.371805
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -12.731
tors. eta vs tors. theta energy: -18.839
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: 7
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -212.316148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.316148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.316148 (E_RNA)
where:
Base-Base interactions energy: -141.722
where: short stacking energy: -66.898
Base-Backbone interact. energy: -0.010
local terms energy: -70.583970
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -19.144
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: 7, replica: 5
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -168.844467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.844467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.844467 (E_RNA)
where:
Base-Base interactions energy: -109.333
where: short stacking energy: -40.379
Base-Backbone interact. energy: -0.156
local terms energy: -59.355652
where:
bonds (distance) C4'-P energy: -11.775
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -9.541
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -8.884
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: 8, replica: 1
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -98.774748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.774748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.774748 (E_RNA)
where:
Base-Base interactions energy: -52.543
where: short stacking energy: -29.760
Base-Backbone interact. energy: -0.019
local terms energy: -46.212533
where:
bonds (distance) C4'-P energy: -6.619
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -4.877
tors. eta vs tors. theta energy: -7.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -97.169023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.169023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.169023 (E_RNA)
where:
Base-Base interactions energy: -38.063
where: short stacking energy: -36.428
Base-Backbone interact. energy: -0.047
local terms energy: -59.059620
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -9.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -77.667574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.667574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.667574 (E_RNA)
where:
Base-Base interactions energy: -32.714
where: short stacking energy: -27.795
Base-Backbone interact. energy: 0.098
local terms energy: -45.051605
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -12.456
flat angles P-C4'-P energy: -2.286
tors. eta vs tors. theta energy: 2.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -228.369502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.369502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.369502 (E_RNA)
where:
Base-Base interactions energy: -153.293
where: short stacking energy: -65.996
Base-Backbone interact. energy: -0.664
local terms energy: -74.412442
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -15.726
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -18.252
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: 6
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -224.552556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.552556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.552556 (E_RNA)
where:
Base-Base interactions energy: -145.274
where: short stacking energy: -68.273
Base-Backbone interact. energy: -0.377
local terms energy: -78.901470
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -12.468
tors. eta vs tors. theta energy: -20.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -220.816181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.816181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.816181 (E_RNA)
where:
Base-Base interactions energy: -151.495
where: short stacking energy: -66.065
Base-Backbone interact. energy: 1.657
local terms energy: -70.977284
where:
bonds (distance) C4'-P energy: -14.892
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -17.183
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: 10
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -222.210715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.210715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.210715 (E_RNA)
where:
Base-Base interactions energy: -146.995
where: short stacking energy: -72.178
Base-Backbone interact. energy: -0.062
local terms energy: -75.153424
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -18.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -204.934290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.934290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.934290 (E_RNA)
where:
Base-Base interactions energy: -131.093
where: short stacking energy: -70.145
Base-Backbone interact. energy: -0.002
local terms energy: -73.839266
where:
bonds (distance) C4'-P energy: -16.967
bonds (distance) P-C4' energy: -10.148
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -21.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -214.993883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.993883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.993883 (E_RNA)
where:
Base-Base interactions energy: -140.285
where: short stacking energy: -65.832
Base-Backbone interact. energy: -0.087
local terms energy: -74.622336
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -19.210
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -20.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -172.384623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.384623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.384623 (E_RNA)
where:
Base-Base interactions energy: -102.568
where: short stacking energy: -53.736
Base-Backbone interact. energy: -0.165
local terms energy: -69.651624
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -12.295
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -17.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -85.804981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.804981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.804981 (E_RNA)
where:
Base-Base interactions energy: -31.299
where: short stacking energy: -27.168
Base-Backbone interact. energy: 1.062
local terms energy: -55.568506
where:
bonds (distance) C4'-P energy: -9.507
bonds (distance) P-C4' energy: -15.468
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -12.601
tors. eta vs tors. theta energy: -4.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -87.096101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.096101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.096101 (E_RNA)
where:
Base-Base interactions energy: -33.654
where: short stacking energy: -33.654
Base-Backbone interact. energy: -0.161
local terms energy: -53.280978
where:
bonds (distance) C4'-P energy: -9.550
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -8.204
tors. eta vs tors. theta energy: -7.022
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: 9
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -79.282538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.282538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.282538 (E_RNA)
where:
Base-Base interactions energy: -30.949
where: short stacking energy: -25.073
Base-Backbone interact. energy: -0.025
local terms energy: -48.308692
where:
bonds (distance) C4'-P energy: -10.236
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -3.003
tors. eta vs tors. theta energy: -6.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -227.030756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.030756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.030756 (E_RNA)
where:
Base-Base interactions energy: -149.021
where: short stacking energy: -63.931
Base-Backbone interact. energy: -0.631
local terms energy: -77.378224
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -13.498
tors. eta vs tors. theta energy: -16.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -218.729075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.729075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.729075 (E_RNA)
where:
Base-Base interactions energy: -137.995
where: short stacking energy: -71.673
Base-Backbone interact. energy: -0.030
local terms energy: -80.703545
where:
bonds (distance) C4'-P energy: -17.658
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -15.573
flat angles P-C4'-P energy: -13.136
tors. eta vs tors. theta energy: -20.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -215.996558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.996558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.996558 (E_RNA)
where:
Base-Base interactions energy: -142.549
where: short stacking energy: -58.887
Base-Backbone interact. energy: -2.756
local terms energy: -70.691415
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: -16.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -214.792942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.792942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.792942 (E_RNA)
where:
Base-Base interactions energy: -144.333
where: short stacking energy: -70.439
Base-Backbone interact. energy: -0.600
local terms energy: -69.860368
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: -17.744
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: 10
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -217.791335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.791335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.791335 (E_RNA)
where:
Base-Base interactions energy: -145.065
where: short stacking energy: -67.168
Base-Backbone interact. energy: -0.022
local terms energy: -72.703760
where:
bonds (distance) C4'-P energy: -18.073
bonds (distance) P-C4' energy: -10.810
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -6.484
tors. eta vs tors. theta energy: -22.206
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: 7
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -203.820681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.820681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.820681 (E_RNA)
where:
Base-Base interactions energy: -131.940
where: short stacking energy: -57.757
Base-Backbone interact. energy: -0.001
local terms energy: -71.880199
where:
bonds (distance) C4'-P energy: -11.160
bonds (distance) P-C4' energy: -16.321
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -9.062
tors. eta vs tors. theta energy: -18.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -164.938345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.938345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.938345 (E_RNA)
where:
Base-Base interactions energy: -108.723
where: short stacking energy: -46.404
Base-Backbone interact. energy: -0.422
local terms energy: -55.793363
where:
bonds (distance) C4'-P energy: -10.509
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -6.474
tors. eta vs tors. theta energy: -8.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -102.528825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.528825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.528825 (E_RNA)
where:
Base-Base interactions energy: -59.668
where: short stacking energy: -28.776
Base-Backbone interact. energy: -0.384
local terms energy: -42.477080
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -12.475
flat angles C4'-P-C4' energy: -9.458
flat angles P-C4'-P energy: -0.935
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: 9, replica: 3
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -72.940812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.940812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.940812 (E_RNA)
where:
Base-Base interactions energy: -23.828
where: short stacking energy: -13.339
Base-Backbone interact. energy: -0.647
local terms energy: -48.465829
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -13.170
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -7.480
tors. eta vs tors. theta energy: 0.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -82.282582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.282582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.282582 (E_RNA)
where:
Base-Base interactions energy: -35.095
where: short stacking energy: -35.095
Base-Backbone interact. energy: -0.098
local terms energy: -47.089528
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -11.320
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: 0.380
tors. eta vs tors. theta energy: -10.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -226.055279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.055279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.055279 (E_RNA)
where:
Base-Base interactions energy: -152.655
where: short stacking energy: -73.573
Base-Backbone interact. energy: -0.604
local terms energy: -72.795535
where:
bonds (distance) C4'-P energy: -12.076
bonds (distance) P-C4' energy: -16.574
flat angles C4'-P-C4' energy: -16.241
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -17.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -224.034975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.034975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.034975 (E_RNA)
where:
Base-Base interactions energy: -154.047
where: short stacking energy: -73.855
Base-Backbone interact. energy: -0.261
local terms energy: -69.727725
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -19.188
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: 4
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -217.101052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.101052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.101052 (E_RNA)
where:
Base-Base interactions energy: -145.701
where: short stacking energy: -63.642
Base-Backbone interact. energy: -0.550
local terms energy: -70.849982
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -13.380
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -19.321
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: 116
Temperature: 1.050000
Total energy: -227.455910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.455910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.455910 (E_RNA)
where:
Base-Base interactions energy: -149.028
where: short stacking energy: -74.643
Base-Backbone interact. energy: -0.003
local terms energy: -78.425346
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: -22.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -215.750516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.750516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.750516 (E_RNA)
where:
Base-Base interactions energy: -141.600
where: short stacking energy: -72.570
Base-Backbone interact. energy: -0.886
local terms energy: -73.264467
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -12.463
flat angles C4'-P-C4' energy: -17.869
flat angles P-C4'-P energy: -13.448
tors. eta vs tors. theta energy: -17.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -203.707083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.707083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.707083 (E_RNA)
where:
Base-Base interactions energy: -135.508
where: short stacking energy: -60.642
Base-Backbone interact. energy: -0.080
local terms energy: -68.118458
where:
bonds (distance) C4'-P energy: -10.666
bonds (distance) P-C4' energy: -12.072
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -13.004
tors. eta vs tors. theta energy: -16.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -148.311078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.311078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.311078 (E_RNA)
where:
Base-Base interactions energy: -98.488
where: short stacking energy: -35.735
Base-Backbone interact. energy: -0.150
local terms energy: -49.672754
where:
bonds (distance) C4'-P energy: -8.146
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -17.376
flat angles P-C4'-P energy: -4.694
tors. eta vs tors. theta energy: -3.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -88.432276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.432276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.432276 (E_RNA)
where:
Base-Base interactions energy: -38.076
where: short stacking energy: -30.799
Base-Backbone interact. energy: -0.608
local terms energy: -49.748894
where:
bonds (distance) C4'-P energy: -11.684
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -10.090
flat angles P-C4'-P energy: -7.421
tors. eta vs tors. theta energy: -4.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -90.597447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.597447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.597447 (E_RNA)
where:
Base-Base interactions energy: -35.428
where: short stacking energy: -31.705
Base-Backbone interact. energy: -0.056
local terms energy: -55.112995
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -10.491
flat angles C4'-P-C4' energy: -10.083
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -10.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -77.964166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.964166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.964166 (E_RNA)
where:
Base-Base interactions energy: -39.521
where: short stacking energy: -22.386
Base-Backbone interact. energy: -0.478
local terms energy: -37.965803
where:
bonds (distance) C4'-P energy: -10.079
bonds (distance) P-C4' energy: -7.253
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -7.819
tors. eta vs tors. theta energy: -0.047
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: 1, replica: 2
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -221.280594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.280594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.280594 (E_RNA)
where:
Base-Base interactions energy: -147.166
where: short stacking energy: -72.369
Base-Backbone interact. energy: -0.097
local terms energy: -74.018453
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -14.436
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -19.298
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: 4
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -210.837367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.837367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.837367 (E_RNA)
where:
Base-Base interactions energy: -142.929
where: short stacking energy: -65.405
Base-Backbone interact. energy: -0.455
local terms energy: -67.453368
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -12.954
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -12.300
tors. eta vs tors. theta energy: -15.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -211.382263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.382263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.382263 (E_RNA)
where:
Base-Base interactions energy: -145.850
where: short stacking energy: -67.557
Base-Backbone interact. energy: -0.007
local terms energy: -65.524955
where:
bonds (distance) C4'-P energy: -10.248
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -12.052
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -16.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -220.379900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.379900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.379900 (E_RNA)
where:
Base-Base interactions energy: -147.765
where: short stacking energy: -72.027
Base-Backbone interact. energy: -0.001
local terms energy: -72.614153
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -11.517
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -21.404
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: 5, replica: 8
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -206.045721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.045721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.045721 (E_RNA)
where:
Base-Base interactions energy: -142.441
where: short stacking energy: -72.255
Base-Backbone interact. energy: -0.130
local terms energy: -63.474643
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -9.447
flat angles C4'-P-C4' energy: -12.892
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -17.342
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: 7
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -204.684901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.684901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.684901 (E_RNA)
where:
Base-Base interactions energy: -133.447
where: short stacking energy: -61.665
Base-Backbone interact. energy: -0.340
local terms energy: -70.897589
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -11.201
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -11.879
tors. eta vs tors. theta energy: -17.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -155.041883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.041883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.041883 (E_RNA)
where:
Base-Base interactions energy: -98.066
where: short stacking energy: -39.954
Base-Backbone interact. energy: -0.002
local terms energy: -56.974635
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -12.457
flat angles C4'-P-C4' energy: -13.059
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -8.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -95.278655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.278655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.278655 (E_RNA)
where:
Base-Base interactions energy: -46.540
where: short stacking energy: -44.776
Base-Backbone interact. energy: -0.007
local terms energy: -48.731634
where:
bonds (distance) C4'-P energy: -6.879
bonds (distance) P-C4' energy: -12.865
flat angles C4'-P-C4' energy: -10.731
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: -9.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -89.144119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.144119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.144119 (E_RNA)
where:
Base-Base interactions energy: -37.002
where: short stacking energy: -31.927
Base-Backbone interact. energy: -0.073
local terms energy: -52.069424
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -11.698
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -7.697
tors. eta vs tors. theta energy: -6.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -77.112930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.112930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.112930 (E_RNA)
where:
Base-Base interactions energy: -29.066
where: short stacking energy: -24.902
Base-Backbone interact. energy: -0.528
local terms energy: -47.518740
where:
bonds (distance) C4'-P energy: -9.727
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -11.039
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -3.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -217.010660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.010660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.010660 (E_RNA)
where:
Base-Base interactions energy: -146.469
where: short stacking energy: -63.964
Base-Backbone interact. energy: -0.317
local terms energy: -70.224956
where:
bonds (distance) C4'-P energy: -12.899
bonds (distance) P-C4' energy: -16.416
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -14.489
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: 2, replica: 2
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -211.205620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.205620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.205620 (E_RNA)
where:
Base-Base interactions energy: -137.854
where: short stacking energy: -69.875
Base-Backbone interact. energy: -0.462
local terms energy: -72.889389
where:
bonds (distance) C4'-P energy: -14.081
bonds (distance) P-C4' energy: -14.680
flat angles C4'-P-C4' energy: -17.709
flat angles P-C4'-P energy: -7.737
tors. eta vs tors. theta energy: -18.682
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: 3, replica: 10
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -222.097391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.097391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.097391 (E_RNA)
where:
Base-Base interactions energy: -145.526
where: short stacking energy: -68.748
Base-Backbone interact. energy: -0.703
local terms energy: -75.868267
where:
bonds (distance) C4'-P energy: -9.570
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: -21.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -212.563808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.563808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.563808 (E_RNA)
where:
Base-Base interactions energy: -147.626
where: short stacking energy: -65.109
Base-Backbone interact. energy: -0.668
local terms energy: -64.269688
where:
bonds (distance) C4'-P energy: -15.457
bonds (distance) P-C4' energy: -11.616
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -6.530
tors. eta vs tors. theta energy: -17.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -197.414094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.414094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.414094 (E_RNA)
where:
Base-Base interactions energy: -123.890
where: short stacking energy: -55.304
Base-Backbone interact. energy: -0.368
local terms energy: -73.155646
where:
bonds (distance) C4'-P energy: -15.502
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -18.090
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -13.407
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: 8
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -204.750609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.750609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.750609 (E_RNA)
where:
Base-Base interactions energy: -135.570
where: short stacking energy: -54.310
Base-Backbone interact. energy: 0.363
local terms energy: -69.543677
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -15.133
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: 5
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -163.121116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.121116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.121116 (E_RNA)
where:
Base-Base interactions energy: -99.472
where: short stacking energy: -37.700
Base-Backbone interact. energy: 0.026
local terms energy: -63.674809
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -9.548
tors. eta vs tors. theta energy: -10.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -81.070908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.070908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.070908 (E_RNA)
where:
Base-Base interactions energy: -34.244
where: short stacking energy: -28.303
Base-Backbone interact. energy: -0.238
local terms energy: -46.589454
where:
bonds (distance) C4'-P energy: -11.218
bonds (distance) P-C4' energy: -11.851
flat angles C4'-P-C4' energy: -10.869
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: -4.513
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: 3
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -83.034669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.034669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.034669 (E_RNA)
where:
Base-Base interactions energy: -29.423
where: short stacking energy: -28.771
Base-Backbone interact. energy: -0.627
local terms energy: -52.984910
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -7.502
tors. eta vs tors. theta energy: -2.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -77.412424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.412424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.412424 (E_RNA)
where:
Base-Base interactions energy: -26.360
where: short stacking energy: -26.360
Base-Backbone interact. energy: -0.270
local terms energy: -50.782563
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -10.284
flat angles P-C4'-P energy: -7.863
tors. eta vs tors. theta energy: -4.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -222.622851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.622851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.622851 (E_RNA)
where:
Base-Base interactions energy: -143.935
where: short stacking energy: -62.278
Base-Backbone interact. energy: -0.132
local terms energy: -78.556133
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -18.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -231.536795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.536795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.536795 (E_RNA)
where:
Base-Base interactions energy: -157.941
where: short stacking energy: -72.783
Base-Backbone interact. energy: -0.236
local terms energy: -73.360047
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -10.673
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: 3, replica: 2
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -211.231537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.231537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.231537 (E_RNA)
where:
Base-Base interactions energy: -145.868
where: short stacking energy: -67.448
Base-Backbone interact. energy: -0.612
local terms energy: -64.750902
where:
bonds (distance) C4'-P energy: -13.732
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -11.160
flat angles P-C4'-P energy: -7.949
tors. eta vs tors. theta energy: -16.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -215.180601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.180601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.180601 (E_RNA)
where:
Base-Base interactions energy: -150.085
where: short stacking energy: -71.026
Base-Backbone interact. energy: -0.058
local terms energy: -65.038300
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -13.019
flat angles C4'-P-C4' energy: -12.876
flat angles P-C4'-P energy: -8.037
tors. eta vs tors. theta energy: -17.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -199.145302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.145302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.145302 (E_RNA)
where:
Base-Base interactions energy: -136.689
where: short stacking energy: -64.938
Base-Backbone interact. energy: -0.896
local terms energy: -61.560140
where:
bonds (distance) C4'-P energy: -9.370
bonds (distance) P-C4' energy: -13.114
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -15.814
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: 8
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -208.626365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.626365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.626365 (E_RNA)
where:
Base-Base interactions energy: -132.193
where: short stacking energy: -60.207
Base-Backbone interact. energy: -0.092
local terms energy: -76.341069
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -13.542
tors. eta vs tors. theta energy: -15.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -169.065432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.065432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.065432 (E_RNA)
where:
Base-Base interactions energy: -105.045
where: short stacking energy: -48.950
Base-Backbone interact. energy: -0.291
local terms energy: -63.729726
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -13.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -84.293703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.293703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.293703 (E_RNA)
where:
Base-Base interactions energy: -43.168
where: short stacking energy: -27.319
Base-Backbone interact. energy: -0.426
local terms energy: -40.699431
where:
bonds (distance) C4'-P energy: -10.981
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -9.285
flat angles P-C4'-P energy: -5.324
tors. eta vs tors. theta energy: 0.223
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: 119
Temperature: 1.300000
Total energy: -84.552495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.552495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.552495 (E_RNA)
where:
Base-Base interactions energy: -32.129
where: short stacking energy: -30.791
Base-Backbone interact. energy: -0.163
local terms energy: -52.261247
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -9.488
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -1.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -75.492435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.492435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.492435 (E_RNA)
where:
Base-Base interactions energy: -43.323
where: short stacking energy: -28.136
Base-Backbone interact. energy: 0.957
local terms energy: -33.127051
where:
bonds (distance) C4'-P energy: -7.574
bonds (distance) P-C4' energy: -6.744
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -4.128
tors. eta vs tors. theta energy: -2.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -232.687599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.687599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.687599 (E_RNA)
where:
Base-Base interactions energy: -152.305
where: short stacking energy: -70.738
Base-Backbone interact. energy: -0.411
local terms energy: -79.971430
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -17.231
flat angles C4'-P-C4' energy: -17.116
flat angles P-C4'-P energy: -14.311
tors. eta vs tors. theta energy: -19.102
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: 4
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -221.488207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.488207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.488207 (E_RNA)
where:
Base-Base interactions energy: -151.421
where: short stacking energy: -68.310
Base-Backbone interact. energy: -1.531
local terms energy: -68.535918
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -12.355
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: -18.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -220.337864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.337864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.337864 (E_RNA)
where:
Base-Base interactions energy: -142.073
where: short stacking energy: -62.765
Base-Backbone interact. energy: -0.124
local terms energy: -78.141192
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -20.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -212.739099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.739099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.739099 (E_RNA)
where:
Base-Base interactions energy: -136.286
where: short stacking energy: -68.366
Base-Backbone interact. energy: -1.151
local terms energy: -75.302595
where:
bonds (distance) C4'-P energy: -11.690
bonds (distance) P-C4' energy: -15.101
flat angles C4'-P-C4' energy: -17.628
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -21.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -215.502503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.502503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.502503 (E_RNA)
where:
Base-Base interactions energy: -143.335
where: short stacking energy: -67.849
Base-Backbone interact. energy: -0.150
local terms energy: -72.017836
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -13.661
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -12.828
tors. eta vs tors. theta energy: -19.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -197.934820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.934820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.934820 (E_RNA)
where:
Base-Base interactions energy: -136.503
where: short stacking energy: -70.867
Base-Backbone interact. energy: -0.111
local terms energy: -61.320647
where:
bonds (distance) C4'-P energy: -11.085
bonds (distance) P-C4' energy: -12.790
flat angles C4'-P-C4' energy: -14.493
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -13.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -157.700397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.700397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.700397 (E_RNA)
where:
Base-Base interactions energy: -103.608
where: short stacking energy: -53.734
Base-Backbone interact. energy: 1.275
local terms energy: -55.367398
where:
bonds (distance) C4'-P energy: -10.215
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -11.634
flat angles P-C4'-P energy: -5.948
tors. eta vs tors. theta energy: -12.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -78.579089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.579089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.579089 (E_RNA)
where:
Base-Base interactions energy: -35.414
where: short stacking energy: -34.340
Base-Backbone interact. energy: -0.023
local terms energy: -43.142266
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -12.340
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -0.796
tors. eta vs tors. theta energy: -4.185
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: 120
Temperature: 1.300000
Total energy: -107.705969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.705969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.705969 (E_RNA)
where:
Base-Base interactions energy: -42.038
where: short stacking energy: -42.038
Base-Backbone interact. energy: -0.097
local terms energy: -65.570374
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -11.899
flat angles C4'-P-C4' energy: -16.214
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -11.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -71.925362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.925362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.925362 (E_RNA)
where:
Base-Base interactions energy: -26.317
where: short stacking energy: -26.317
Base-Backbone interact. energy: -0.213
local terms energy: -45.395730
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -9.325
flat angles P-C4'-P energy: -5.389
tors. eta vs tors. theta energy: -3.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -231.585996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.585996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.585996 (E_RNA)
where:
Base-Base interactions energy: -148.752
where: short stacking energy: -75.876
Base-Backbone interact. energy: -0.763
local terms energy: -82.070280
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -17.568
flat angles P-C4'-P energy: -13.669
tors. eta vs tors. theta energy: -22.800
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: 2, replica: 4
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -222.598210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.598210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.598210 (E_RNA)
where:
Base-Base interactions energy: -152.218
where: short stacking energy: -70.297
Base-Backbone interact. energy: 2.101
local terms energy: -72.481439
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -17.874
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: -16.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -220.356034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.356034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.356034 (E_RNA)
where:
Base-Base interactions energy: -140.473
where: short stacking energy: -69.200
Base-Backbone interact. energy: -0.755
local terms energy: -79.127647
where:
bonds (distance) C4'-P energy: -14.895
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -17.667
flat angles P-C4'-P energy: -13.267
tors. eta vs tors. theta energy: -19.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -223.101466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.101466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.101466 (E_RNA)
where:
Base-Base interactions energy: -150.600
where: short stacking energy: -70.983
Base-Backbone interact. energy: -0.002
local terms energy: -72.499866
where:
bonds (distance) C4'-P energy: -15.798
bonds (distance) P-C4' energy: -14.274
flat angles C4'-P-C4' energy: -13.888
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -19.138
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: 6
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -214.781676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.781676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.781676 (E_RNA)
where:
Base-Base interactions energy: -133.601
where: short stacking energy: -68.687
Base-Backbone interact. energy: -0.578
local terms energy: -80.602062
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -17.163
flat angles P-C4'-P energy: -13.434
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: 6, replica: 8
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -211.536481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.536481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.536481 (E_RNA)
where:
Base-Base interactions energy: -142.490
where: short stacking energy: -68.791
Base-Backbone interact. energy: -0.099
local terms energy: -68.947816
where:
bonds (distance) C4'-P energy: -12.421
bonds (distance) P-C4' energy: -12.576
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: -18.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -160.523451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.523451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.523451 (E_RNA)
where:
Base-Base interactions energy: -103.311
where: short stacking energy: -48.905
Base-Backbone interact. energy: -0.052
local terms energy: -57.159574
where:
bonds (distance) C4'-P energy: -13.276
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -9.977
flat angles P-C4'-P energy: -6.483
tors. eta vs tors. theta energy: -10.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -85.602264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.602264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.602264 (E_RNA)
where:
Base-Base interactions energy: -40.603
where: short stacking energy: -34.857
Base-Backbone interact. energy: -0.008
local terms energy: -44.991233
where:
bonds (distance) C4'-P energy: -8.311
bonds (distance) P-C4' energy: -11.940
flat angles C4'-P-C4' energy: -12.118
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -1.061
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: 3
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -83.345228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.345228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.345228 (E_RNA)
where:
Base-Base interactions energy: -35.341
where: short stacking energy: -34.578
Base-Backbone interact. energy: 1.129
local terms energy: -49.133593
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -6.981
flat angles P-C4'-P energy: -7.466
tors. eta vs tors. theta energy: -4.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -77.926872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.926872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.926872 (E_RNA)
where:
Base-Base interactions energy: -29.853
where: short stacking energy: -29.806
Base-Backbone interact. energy: -0.126
local terms energy: -47.948266
where:
bonds (distance) C4'-P energy: -11.309
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: -7.326
tors. eta vs tors. theta energy: -3.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -228.764687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.764687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.764687 (E_RNA)
where:
Base-Base interactions energy: -155.605
where: short stacking energy: -72.767
Base-Backbone interact. energy: -0.529
local terms energy: -72.630781
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -8.914
tors. eta vs tors. theta energy: -18.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -227.654602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.654602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.654602 (E_RNA)
where:
Base-Base interactions energy: -143.425
where: short stacking energy: -73.383
Base-Backbone interact. energy: -0.080
local terms energy: -84.149360
where:
bonds (distance) C4'-P energy: -16.897
bonds (distance) P-C4' energy: -18.370
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -23.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -216.369798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.369798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.369798 (E_RNA)
where:
Base-Base interactions energy: -144.403
where: short stacking energy: -69.953
Base-Backbone interact. energy: -0.420
local terms energy: -71.547293
where:
bonds (distance) C4'-P energy: -11.315
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -17.165
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -15.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -205.976853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.976853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.976853 (E_RNA)
where:
Base-Base interactions energy: -134.668
where: short stacking energy: -57.049
Base-Backbone interact. energy: -0.746
local terms energy: -70.563084
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -9.351
tors. eta vs tors. theta energy: -18.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -218.625628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.625628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.625628 (E_RNA)
where:
Base-Base interactions energy: -147.692
where: short stacking energy: -68.515
Base-Backbone interact. energy: -0.152
local terms energy: -70.781960
where:
bonds (distance) C4'-P energy: -11.368
bonds (distance) P-C4' energy: -11.536
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -21.805
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: 8
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -214.989554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.989554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.989554 (E_RNA)
where:
Base-Base interactions energy: -134.832
where: short stacking energy: -72.854
Base-Backbone interact. energy: -0.389
local terms energy: -79.768608
where:
bonds (distance) C4'-P energy: -12.369
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -12.989
tors. eta vs tors. theta energy: -23.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -92.529071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.529071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.529071 (E_RNA)
where:
Base-Base interactions energy: -38.726
where: short stacking energy: -38.726
Base-Backbone interact. energy: 0.003
local terms energy: -53.805814
where:
bonds (distance) C4'-P energy: -11.527
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -7.325
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -6.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -144.725234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.725234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.725234 (E_RNA)
where:
Base-Base interactions energy: -92.207
where: short stacking energy: -55.811
Base-Backbone interact. energy: -0.132
local terms energy: -52.386592
where:
bonds (distance) C4'-P energy: -13.940
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: 3.225
tors. eta vs tors. theta energy: -13.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -81.786380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.786380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.786380 (E_RNA)
where:
Base-Base interactions energy: -31.787
where: short stacking energy: -26.589
Base-Backbone interact. energy: -0.163
local terms energy: -49.836006
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -9.114
flat angles P-C4'-P energy: -8.515
tors. eta vs tors. theta energy: -5.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -76.369994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.369994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.369994 (E_RNA)
where:
Base-Base interactions energy: -29.904
where: short stacking energy: -24.316
Base-Backbone interact. energy: -0.783
local terms energy: -45.683392
where:
bonds (distance) C4'-P energy: -7.863
bonds (distance) P-C4' energy: -12.841
flat angles C4'-P-C4' energy: -12.052
flat angles P-C4'-P energy: -8.368
tors. eta vs tors. theta energy: -4.559
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: 4
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -220.076605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.076605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.076605 (E_RNA)
where:
Base-Base interactions energy: -150.482
where: short stacking energy: -60.858
Base-Backbone interact. energy: -0.460
local terms energy: -69.134653
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -12.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -229.288819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.288819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.288819 (E_RNA)
where:
Base-Base interactions energy: -150.430
where: short stacking energy: -71.756
Base-Backbone interact. energy: -0.224
local terms energy: -78.634507
where:
bonds (distance) C4'-P energy: -14.685
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -20.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -223.554338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.554338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.554338 (E_RNA)
where:
Base-Base interactions energy: -147.940
where: short stacking energy: -68.518
Base-Backbone interact. energy: -0.039
local terms energy: -75.575392
where:
bonds (distance) C4'-P energy: -15.689
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -17.706
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -15.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -224.476968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.476968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.476968 (E_RNA)
where:
Base-Base interactions energy: -146.794
where: short stacking energy: -75.686
Base-Backbone interact. energy: -0.035
local terms energy: -77.648511
where:
bonds (distance) C4'-P energy: -16.643
bonds (distance) P-C4' energy: -16.690
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -18.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -204.939135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.939135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.939135 (E_RNA)
where:
Base-Base interactions energy: -131.667
where: short stacking energy: -59.578
Base-Backbone interact. energy: -0.057
local terms energy: -73.215008
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -18.137
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -13.080
tors. eta vs tors. theta energy: -17.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -203.322514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.322514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.322514 (E_RNA)
where:
Base-Base interactions energy: -145.731
where: short stacking energy: -72.349
Base-Backbone interact. energy: -0.012
local terms energy: -57.580350
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -9.439
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -6.015
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: 7, replica: 9
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -82.332302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.332302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.332302 (E_RNA)
where:
Base-Base interactions energy: -34.206
where: short stacking energy: -29.166
Base-Backbone interact. energy: 0.617
local terms energy: -48.743740
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -3.280
tors. eta vs tors. theta energy: -3.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -160.711054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.711054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.711054 (E_RNA)
where:
Base-Base interactions energy: -101.488
where: short stacking energy: -44.347
Base-Backbone interact. energy: -0.427
local terms energy: -58.795867
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -11.918
flat angles C4'-P-C4' energy: -13.075
flat angles P-C4'-P energy: -7.905
tors. eta vs tors. theta energy: -9.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -91.246328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.246328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.246328 (E_RNA)
where:
Base-Base interactions energy: -37.082
where: short stacking energy: -32.946
Base-Backbone interact. energy: -0.063
local terms energy: -54.101264
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -9.620
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -8.463
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: 3
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -75.160753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.160753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.160753 (E_RNA)
where:
Base-Base interactions energy: -27.508
where: short stacking energy: -20.872
Base-Backbone interact. energy: -0.118
local terms energy: -47.534967
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -12.274
flat angles P-C4'-P energy: -7.835
tors. eta vs tors. theta energy: 3.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -225.010447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.010447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.010447 (E_RNA)
where:
Base-Base interactions energy: -148.241
where: short stacking energy: -70.941
Base-Backbone interact. energy: -0.582
local terms energy: -76.187678
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -16.383
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -17.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -225.671129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.671129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.671129 (E_RNA)
where:
Base-Base interactions energy: -151.572
where: short stacking energy: -73.731
Base-Backbone interact. energy: -0.471
local terms energy: -73.628773
where:
bonds (distance) C4'-P energy: -10.879
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -19.398
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: 124
Temperature: 1.000000
Total energy: -213.042550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.042550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.042550 (E_RNA)
where:
Base-Base interactions energy: -137.331
where: short stacking energy: -72.697
Base-Backbone interact. energy: -0.005
local terms energy: -75.706981
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -8.619
tors. eta vs tors. theta energy: -23.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -210.065848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.065848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.065848 (E_RNA)
where:
Base-Base interactions energy: -139.840
where: short stacking energy: -68.853
Base-Backbone interact. energy: -0.012
local terms energy: -70.213545
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -11.131
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -18.059
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: 2
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -203.649831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.649831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.649831 (E_RNA)
where:
Base-Base interactions energy: -135.140
where: short stacking energy: -63.555
Base-Backbone interact. energy: 0.199
local terms energy: -68.708605
where:
bonds (distance) C4'-P energy: -10.076
bonds (distance) P-C4' energy: -15.227
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -11.445
tors. eta vs tors. theta energy: -17.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -203.877959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.877959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.877959 (E_RNA)
where:
Base-Base interactions energy: -127.649
where: short stacking energy: -63.134
Base-Backbone interact. energy: -1.653
local terms energy: -74.575536
where:
bonds (distance) C4'-P energy: -8.911
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -13.833
tors. eta vs tors. theta energy: -18.759
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: 7, replica: 5
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -174.093367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.093367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.093367 (E_RNA)
where:
Base-Base interactions energy: -110.170
where: short stacking energy: -49.131
Base-Backbone interact. energy: -0.449
local terms energy: -63.474113
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -6.783
tors. eta vs tors. theta energy: -11.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -91.554706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.554706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.554706 (E_RNA)
where:
Base-Base interactions energy: -37.232
where: short stacking energy: -25.064
Base-Backbone interact. energy: 0.412
local terms energy: -54.734664
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -18.058
flat angles P-C4'-P energy: -7.478
tors. eta vs tors. theta energy: -3.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -85.357152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.357152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.357152 (E_RNA)
where:
Base-Base interactions energy: -37.636
where: short stacking energy: -37.636
Base-Backbone interact. energy: -0.047
local terms energy: -47.674067
where:
bonds (distance) C4'-P energy: -9.404
bonds (distance) P-C4' energy: -8.198
flat angles C4'-P-C4' energy: -10.122
flat angles P-C4'-P energy: -5.404
tors. eta vs tors. theta energy: -14.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -85.724793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.724793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.724793 (E_RNA)
where:
Base-Base interactions energy: -37.366
where: short stacking energy: -28.721
Base-Backbone interact. energy: -0.117
local terms energy: -48.242138
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -14.844
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -5.884
tors. eta vs tors. theta energy: -2.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -221.686934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.686934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.686934 (E_RNA)
where:
Base-Base interactions energy: -149.229
where: short stacking energy: -64.240
Base-Backbone interact. energy: -0.262
local terms energy: -72.195738
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -14.823
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -15.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -224.618030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.618030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.618030 (E_RNA)
where:
Base-Base interactions energy: -144.620
where: short stacking energy: -71.494
Base-Backbone interact. energy: -0.044
local terms energy: -79.954149
where:
bonds (distance) C4'-P energy: -15.573
bonds (distance) P-C4' energy: -16.929
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -21.905
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: 3, replica: 6
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -216.965384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.965384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.965384 (E_RNA)
where:
Base-Base interactions energy: -142.338
where: short stacking energy: -72.551
Base-Backbone interact. energy: -1.411
local terms energy: -73.215474
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -7.644
tors. eta vs tors. theta energy: -22.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -207.013615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.013615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.013615 (E_RNA)
where:
Base-Base interactions energy: -136.522
where: short stacking energy: -61.480
Base-Backbone interact. energy: -0.024
local terms energy: -70.466915
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -17.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -201.522132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.522132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.522132 (E_RNA)
where:
Base-Base interactions energy: -134.661
where: short stacking energy: -66.390
Base-Backbone interact. energy: -0.626
local terms energy: -66.235577
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -16.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -197.896406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.896406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.896406 (E_RNA)
where:
Base-Base interactions energy: -130.371
where: short stacking energy: -66.154
Base-Backbone interact. energy: -0.329
local terms energy: -67.196413
where:
bonds (distance) C4'-P energy: -10.671
bonds (distance) P-C4' energy: -15.826
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -16.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -185.478159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.478159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.478159 (E_RNA)
where:
Base-Base interactions energy: -117.187
where: short stacking energy: -62.291
Base-Backbone interact. energy: -0.001
local terms energy: -68.290618
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: -15.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -86.271580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.271580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.271580 (E_RNA)
where:
Base-Base interactions energy: -40.642
where: short stacking energy: -33.742
Base-Backbone interact. energy: -0.208
local terms energy: -45.420719
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -11.720
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: 3.466
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: 125
Temperature: 1.300000
Total energy: -85.567700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.567700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.567700 (E_RNA)
where:
Base-Base interactions energy: -38.181
where: short stacking energy: -30.643
Base-Backbone interact. energy: 0.260
local terms energy: -47.646356
where:
bonds (distance) C4'-P energy: -8.806
bonds (distance) P-C4' energy: -14.489
flat angles C4'-P-C4' energy: -11.384
flat angles P-C4'-P energy: -7.270
tors. eta vs tors. theta energy: -5.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -67.176987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.176987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.176987 (E_RNA)
where:
Base-Base interactions energy: -27.771
where: short stacking energy: -27.771
Base-Backbone interact. energy: -0.371
local terms energy: -39.035339
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -8.822
flat angles C4'-P-C4' energy: -8.230
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: 2.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -231.636710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.636710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.636710 (E_RNA)
where:
Base-Base interactions energy: -153.145
where: short stacking energy: -75.643
Base-Backbone interact. energy: -0.076
local terms energy: -78.416241
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -17.069
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -20.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -219.321201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.321201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.321201 (E_RNA)
where:
Base-Base interactions energy: -147.159
where: short stacking energy: -65.605
Base-Backbone interact. energy: -0.394
local terms energy: -71.768403
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -13.291
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -16.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -217.882941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.882941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.882941 (E_RNA)
where:
Base-Base interactions energy: -149.892
where: short stacking energy: -72.019
Base-Backbone interact. energy: -1.063
local terms energy: -66.928682
where:
bonds (distance) C4'-P energy: -10.824
bonds (distance) P-C4' energy: -11.681
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -19.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -204.460916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.460916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.460916 (E_RNA)
where:
Base-Base interactions energy: -133.805
where: short stacking energy: -66.617
Base-Backbone interact. energy: -0.159
local terms energy: -70.496768
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -12.871
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -17.744
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: 8
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -201.861380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.861380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.861380 (E_RNA)
where:
Base-Base interactions energy: -127.409
where: short stacking energy: -62.432
Base-Backbone interact. energy: -0.258
local terms energy: -74.195313
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -8.683
tors. eta vs tors. theta energy: -18.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -193.515634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.515634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.515634 (E_RNA)
where:
Base-Base interactions energy: -129.004
where: short stacking energy: -65.248
Base-Backbone interact. energy: 0.292
local terms energy: -64.804010
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -11.697
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -12.821
tors. eta vs tors. theta energy: -16.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -170.756766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.756766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.756766 (E_RNA)
where:
Base-Base interactions energy: -108.773
where: short stacking energy: -48.628
Base-Backbone interact. energy: -0.206
local terms energy: -61.778039
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -14.892
flat angles P-C4'-P energy: -6.927
tors. eta vs tors. theta energy: -10.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -90.376185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.376185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.376185 (E_RNA)
where:
Base-Base interactions energy: -46.296
where: short stacking energy: -31.938
Base-Backbone interact. energy: 0.516
local terms energy: -44.596558
where:
bonds (distance) C4'-P energy: -10.169
bonds (distance) P-C4' energy: -10.725
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -6.928
tors. eta vs tors. theta energy: -2.071
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: 9, replica: 1
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -75.640585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.640585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.640585 (E_RNA)
where:
Base-Base interactions energy: -37.616
where: short stacking energy: -19.187
Base-Backbone interact. energy: -0.118
local terms energy: -37.906684
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -10.249
flat angles C4'-P-C4' energy: -7.932
flat angles P-C4'-P energy: -7.239
tors. eta vs tors. theta energy: 0.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -77.607428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.607428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.607428 (E_RNA)
where:
Base-Base interactions energy: -27.745
where: short stacking energy: -27.745
Base-Backbone interact. energy: -0.098
local terms energy: -49.764448
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -11.338
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -2.829
tors. eta vs tors. theta energy: -3.395
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: 1, replica: 7
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -238.333561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.333561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.333561 (E_RNA)
where:
Base-Base interactions energy: -156.005
where: short stacking energy: -81.250
Base-Backbone interact. energy: -0.002
local terms energy: -82.326037
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -13.440
tors. eta vs tors. theta energy: -22.177
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: 127
Temperature: 0.950000
Total energy: -225.197842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.197842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.197842 (E_RNA)
where:
Base-Base interactions energy: -156.339
where: short stacking energy: -72.797
Base-Backbone interact. energy: -0.072
local terms energy: -68.787261
where:
bonds (distance) C4'-P energy: -8.761
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -19.200
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: 3, replica: 4
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -213.600449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.600449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.600449 (E_RNA)
where:
Base-Base interactions energy: -146.148
where: short stacking energy: -67.642
Base-Backbone interact. energy: -0.362
local terms energy: -67.090190
where:
bonds (distance) C4'-P energy: -10.676
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -5.122
tors. eta vs tors. theta energy: -19.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -211.470833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.470833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.470833 (E_RNA)
where:
Base-Base interactions energy: -136.275
where: short stacking energy: -65.136
Base-Backbone interact. energy: -0.079
local terms energy: -75.116145
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -18.047
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: 8
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -210.151984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.151984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.151984 (E_RNA)
where:
Base-Base interactions energy: -137.351
where: short stacking energy: -68.013
Base-Backbone interact. energy: -0.126
local terms energy: -72.675469
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: -19.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -150.191270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.191270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.191270 (E_RNA)
where:
Base-Base interactions energy: -88.126
where: short stacking energy: -40.609
Base-Backbone interact. energy: 1.269
local terms energy: -63.334676
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -6.580
tors. eta vs tors. theta energy: -7.609
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: 7, replica: 10
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -197.242480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.242480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.242480 (E_RNA)
where:
Base-Base interactions energy: -126.811
where: short stacking energy: -55.705
Base-Backbone interact. energy: 0.016
local terms energy: -70.447333
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -6.722
tors. eta vs tors. theta energy: -19.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -90.177006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.177006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.177006 (E_RNA)
where:
Base-Base interactions energy: -42.667
where: short stacking energy: -25.779
Base-Backbone interact. energy: -0.758
local terms energy: -46.751660
where:
bonds (distance) C4'-P energy: -8.820
bonds (distance) P-C4' energy: -14.280
flat angles C4'-P-C4' energy: -15.365
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: 1.669
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: 3
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -89.373113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.373113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.373113 (E_RNA)
where:
Base-Base interactions energy: -37.485
where: short stacking energy: -26.467
Base-Backbone interact. energy: 0.491
local terms energy: -52.378953
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -9.993
flat angles P-C4'-P energy: -5.426
tors. eta vs tors. theta energy: -5.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -81.330994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.330994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.330994 (E_RNA)
where:
Base-Base interactions energy: -31.176
where: short stacking energy: -27.360
Base-Backbone interact. energy: -0.010
local terms energy: -50.144776
where:
bonds (distance) C4'-P energy: -16.185
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -4.822
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -4.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -228.154625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.154625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.154625 (E_RNA)
where:
Base-Base interactions energy: -148.175
where: short stacking energy: -76.214
Base-Backbone interact. energy: -0.461
local terms energy: -79.518612
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -15.482
flat angles P-C4'-P energy: -12.105
tors. eta vs tors. theta energy: -20.405
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: 2
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -225.493590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.493590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.493590 (E_RNA)
where:
Base-Base interactions energy: -150.955
where: short stacking energy: -69.191
Base-Backbone interact. energy: -0.029
local terms energy: -74.509448
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -8.326
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: -21.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -217.447591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.447591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.447591 (E_RNA)
where:
Base-Base interactions energy: -144.001
where: short stacking energy: -73.349
Base-Backbone interact. energy: 0.478
local terms energy: -73.924161
where:
bonds (distance) C4'-P energy: -17.459
bonds (distance) P-C4' energy: -8.726
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -18.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -214.268851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.268851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.268851 (E_RNA)
where:
Base-Base interactions energy: -153.083
where: short stacking energy: -62.772
Base-Backbone interact. energy: -0.256
local terms energy: -60.929994
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -12.422
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -5.654
tors. eta vs tors. theta energy: -11.306
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: 128
Temperature: 1.100000
Total energy: -217.722826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.722826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.722826 (E_RNA)
where:
Base-Base interactions energy: -143.803
where: short stacking energy: -66.450
Base-Backbone interact. energy: -1.353
local terms energy: -72.566094
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -15.161
flat angles C4'-P-C4' energy: -11.797
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -19.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -155.627151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.627151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.627151 (E_RNA)
where:
Base-Base interactions energy: -102.361
where: short stacking energy: -42.543
Base-Backbone interact. energy: 2.216
local terms energy: -55.481855
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -5.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -196.464658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.464658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.464658 (E_RNA)
where:
Base-Base interactions energy: -129.983
where: short stacking energy: -68.840
Base-Backbone interact. energy: -1.217
local terms energy: -65.264397
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -10.020
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -15.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -91.864360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.864360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.864360 (E_RNA)
where:
Base-Base interactions energy: -45.608
where: short stacking energy: -24.308
Base-Backbone interact. energy: -0.907
local terms energy: -45.349166
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -7.172
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: 0.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -75.979547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.979547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.979547 (E_RNA)
where:
Base-Base interactions energy: -32.397
where: short stacking energy: -18.876
Base-Backbone interact. energy: -0.112
local terms energy: -43.470181
where:
bonds (distance) C4'-P energy: -14.067
bonds (distance) P-C4' energy: -11.368
flat angles C4'-P-C4' energy: -10.377
flat angles P-C4'-P energy: -7.967
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: 10, replica: 9
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -94.492396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.492396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.492396 (E_RNA)
where:
Base-Base interactions energy: -40.170
where: short stacking energy: -24.763
Base-Backbone interact. energy: -0.062
local terms energy: -54.259863
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -13.024
flat angles P-C4'-P energy: -7.585
tors. eta vs tors. theta energy: -3.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -227.418708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.418708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.418708 (E_RNA)
where:
Base-Base interactions energy: -148.663
where: short stacking energy: -78.988
Base-Backbone interact. energy: -0.001
local terms energy: -78.753806
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -14.002
flat angles C4'-P-C4' energy: -18.031
flat angles P-C4'-P energy: -13.663
tors. eta vs tors. theta energy: -20.198
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: 129
Temperature: 0.950000
Total energy: -224.999460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.999460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.999460 (E_RNA)
where:
Base-Base interactions energy: -140.202
where: short stacking energy: -67.766
Base-Backbone interact. energy: 0.178
local terms energy: -84.975405
where:
bonds (distance) C4'-P energy: -16.741
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -18.331
flat angles P-C4'-P energy: -13.599
tors. eta vs tors. theta energy: -20.657
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: 3, replica: 2
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -222.738918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.738918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.738918 (E_RNA)
where:
Base-Base interactions energy: -148.607
where: short stacking energy: -73.034
Base-Backbone interact. energy: -0.313
local terms energy: -73.818405
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -9.980
flat angles C4'-P-C4' energy: -17.221
flat angles P-C4'-P energy: -14.592
tors. eta vs tors. theta energy: -19.579
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: 129
Temperature: 1.050000
Total energy: -214.515496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.515496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.515496 (E_RNA)
where:
Base-Base interactions energy: -146.289
where: short stacking energy: -75.229
Base-Backbone interact. energy: -0.132
local terms energy: -68.094333
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -7.885
tors. eta vs tors. theta energy: -19.221
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: 129
Temperature: 1.100000
Total energy: -206.325617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.325617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.325617 (E_RNA)
where:
Base-Base interactions energy: -141.003
where: short stacking energy: -56.775
Base-Backbone interact. energy: -0.324
local terms energy: -64.998402
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -7.864
tors. eta vs tors. theta energy: -14.390
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: 10
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -198.214839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.214839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.214839 (E_RNA)
where:
Base-Base interactions energy: -129.828
where: short stacking energy: -65.575
Base-Backbone interact. energy: -0.179
local terms energy: -68.207705
where:
bonds (distance) C4'-P energy: -10.388
bonds (distance) P-C4' energy: -9.890
flat angles C4'-P-C4' energy: -14.245
flat angles P-C4'-P energy: -14.115
tors. eta vs tors. theta energy: -19.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -148.180425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.180425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.180425 (E_RNA)
where:
Base-Base interactions energy: -95.315
where: short stacking energy: -42.580
Base-Backbone interact. energy: -0.057
local terms energy: -52.808400
where:
bonds (distance) C4'-P energy: -12.727
bonds (distance) P-C4' energy: -11.360
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -7.394
tors. eta vs tors. theta energy: -7.689
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: 3
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -96.715352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.715352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.715352 (E_RNA)
where:
Base-Base interactions energy: -39.534
where: short stacking energy: -39.534
Base-Backbone interact. energy: 0.356
local terms energy: -57.536637
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -11.368
flat angles P-C4'-P energy: -6.617
tors. eta vs tors. theta energy: -7.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -84.084407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.084407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.084407 (E_RNA)
where:
Base-Base interactions energy: -44.418
where: short stacking energy: -21.445
Base-Backbone interact. energy: -0.241
local terms energy: -39.425044
where:
bonds (distance) C4'-P energy: -9.756
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -8.839
flat angles P-C4'-P energy: -8.128
tors. eta vs tors. theta energy: 3.164
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: 9
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -74.552025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.552025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.552025 (E_RNA)
where:
Base-Base interactions energy: -37.051
where: short stacking energy: -22.624
Base-Backbone interact. energy: -0.137
local terms energy: -37.363958
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -9.403
flat angles P-C4'-P energy: -5.146
tors. eta vs tors. theta energy: 2.347
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: 130
Temperature: 0.900000
Total energy: -234.564390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.564390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.564390 (E_RNA)
where:
Base-Base interactions energy: -152.859
where: short stacking energy: -76.119
Base-Backbone interact. energy: -0.031
local terms energy: -81.674745
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -15.313
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -22.235
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: 7
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -222.590188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.590188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.590188 (E_RNA)
where:
Base-Base interactions energy: -146.439
where: short stacking energy: -76.167
Base-Backbone interact. energy: -0.136
local terms energy: -76.014855
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -14.555
flat angles C4'-P-C4' energy: -16.508
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -19.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -225.438478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.438478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.438478 (E_RNA)
where:
Base-Base interactions energy: -142.208
where: short stacking energy: -77.945
Base-Backbone interact. energy: -0.067
local terms energy: -83.163680
where:
bonds (distance) C4'-P energy: -13.851
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -13.259
tors. eta vs tors. theta energy: -24.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -211.187338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.187338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.187338 (E_RNA)
where:
Base-Base interactions energy: -137.714
where: short stacking energy: -66.679
Base-Backbone interact. energy: -0.247
local terms energy: -73.225662
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -15.744
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -17.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -207.272391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.272391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.272391 (E_RNA)
where:
Base-Base interactions energy: -133.174
where: short stacking energy: -66.465
Base-Backbone interact. energy: -0.063
local terms energy: -74.035534
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -14.061
tors. eta vs tors. theta energy: -19.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -209.065957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.065957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.065957 (E_RNA)
where:
Base-Base interactions energy: -145.247
where: short stacking energy: -61.848
Base-Backbone interact. energy: 0.502
local terms energy: -64.321054
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -8.182
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -10.716
tors. eta vs tors. theta energy: -16.575
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: 5
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -176.491612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.491612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.491612 (E_RNA)
where:
Base-Base interactions energy: -114.205
where: short stacking energy: -64.110
Base-Backbone interact. energy: -0.104
local terms energy: -62.182501
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -9.508
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -6.895
tors. eta vs tors. theta energy: -17.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -100.740922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.740922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.740922 (E_RNA)
where:
Base-Base interactions energy: -42.111
where: short stacking energy: -33.127
Base-Backbone interact. energy: -0.264
local terms energy: -58.366126
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -12.092
flat angles P-C4'-P energy: -7.735
tors. eta vs tors. theta energy: -8.209
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: 1
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -87.251049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.251049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.251049 (E_RNA)
where:
Base-Base interactions energy: -37.882
where: short stacking energy: -37.095
Base-Backbone interact. energy: -0.448
local terms energy: -48.921419
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -13.122
flat angles C4'-P-C4' energy: -10.989
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -4.676
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: 130
Temperature: 1.350000
Total energy: -86.470385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.470385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.470385 (E_RNA)
where:
Base-Base interactions energy: -26.152
where: short stacking energy: -17.674
Base-Backbone interact. energy: -0.165
local terms energy: -60.152875
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -9.698
tors. eta vs tors. theta energy: -5.307
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: 6
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -231.940968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.940968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.940968 (E_RNA)
where:
Base-Base interactions energy: -149.641
where: short stacking energy: -76.979
Base-Backbone interact. energy: -0.015
local terms energy: -82.285049
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -12.881
tors. eta vs tors. theta energy: -23.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -223.861525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.861525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.861525 (E_RNA)
where:
Base-Base interactions energy: -148.076
where: short stacking energy: -78.673
Base-Backbone interact. energy: -0.000
local terms energy: -75.785537
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -20.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -217.048706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.048706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.048706 (E_RNA)
where:
Base-Base interactions energy: -143.629
where: short stacking energy: -72.520
Base-Backbone interact. energy: 1.088
local terms energy: -74.507946
where:
bonds (distance) C4'-P energy: -17.556
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -15.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -217.596746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.596746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.596746 (E_RNA)
where:
Base-Base interactions energy: -144.356
where: short stacking energy: -67.774
Base-Backbone interact. energy: -0.131
local terms energy: -73.109928
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -13.142
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -19.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -221.211293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.211293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.211293 (E_RNA)
where:
Base-Base interactions energy: -143.665
where: short stacking energy: -67.724
Base-Backbone interact. energy: -0.004
local terms energy: -77.542207
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -16.877
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -19.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -184.479552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.479552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.479552 (E_RNA)
where:
Base-Base interactions energy: -117.219
where: short stacking energy: -56.699
Base-Backbone interact. energy: 0.296
local terms energy: -67.556681
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -16.418
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -11.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -203.078037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.078037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.078037 (E_RNA)
where:
Base-Base interactions energy: -137.770
where: short stacking energy: -59.234
Base-Backbone interact. energy: -0.089
local terms energy: -65.218310
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -15.616
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -12.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -90.318656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.318656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.318656 (E_RNA)
where:
Base-Base interactions energy: -42.429
where: short stacking energy: -21.032
Base-Backbone interact. energy: -0.546
local terms energy: -47.343576
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -3.829
tors. eta vs tors. theta energy: 0.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -73.996888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.996888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.996888 (E_RNA)
where:
Base-Base interactions energy: -34.815
where: short stacking energy: -16.059
Base-Backbone interact. energy: 0.382
local terms energy: -39.563376
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -11.608
flat angles P-C4'-P energy: -2.699
tors. eta vs tors. theta energy: 2.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -78.182152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.182152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.182152 (E_RNA)
where:
Base-Base interactions energy: -33.929
where: short stacking energy: -33.929
Base-Backbone interact. energy: -0.215
local terms energy: -44.038107
where:
bonds (distance) C4'-P energy: -7.614
bonds (distance) P-C4' energy: -15.915
flat angles C4'-P-C4' energy: -10.125
flat angles P-C4'-P energy: -6.537
tors. eta vs tors. theta energy: -3.847
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: 8
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -229.797721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.797721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.797721 (E_RNA)
where:
Base-Base interactions energy: -154.014
where: short stacking energy: -75.860
Base-Backbone interact. energy: -0.588
local terms energy: -75.195561
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -19.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -229.640344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.640344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.640344 (E_RNA)
where:
Base-Base interactions energy: -146.827
where: short stacking energy: -74.350
Base-Backbone interact. energy: -0.719
local terms energy: -82.094410
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -17.512
flat angles P-C4'-P energy: -12.654
tors. eta vs tors. theta energy: -22.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -220.139544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.139544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.139544 (E_RNA)
where:
Base-Base interactions energy: -153.208
where: short stacking energy: -67.966
Base-Backbone interact. energy: 0.589
local terms energy: -67.520801
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -13.925
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -8.312
tors. eta vs tors. theta energy: -15.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -213.907072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.907072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.907072 (E_RNA)
where:
Base-Base interactions energy: -142.786
where: short stacking energy: -65.164
Base-Backbone interact. energy: 0.069
local terms energy: -71.190229
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -12.374
flat angles C4'-P-C4' energy: -16.381
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -17.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -215.514898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.514898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.514898 (E_RNA)
where:
Base-Base interactions energy: -141.041
where: short stacking energy: -61.692
Base-Backbone interact. energy: -0.459
local terms energy: -74.015153
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -17.428
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -15.925
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: 5
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -151.567634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.567634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.567634 (E_RNA)
where:
Base-Base interactions energy: -88.598
where: short stacking energy: -47.418
Base-Backbone interact. energy: 0.161
local terms energy: -63.131263
where:
bonds (distance) C4'-P energy: -11.376
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -11.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -179.674443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.674443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.674443 (E_RNA)
where:
Base-Base interactions energy: -124.216
where: short stacking energy: -54.141
Base-Backbone interact. energy: -0.173
local terms energy: -55.285348
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -8.970
flat angles C4'-P-C4' energy: -10.124
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -13.558
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: 8, replica: 3
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -87.072856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.072856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.072856 (E_RNA)
where:
Base-Base interactions energy: -36.437
where: short stacking energy: -32.056
Base-Backbone interact. energy: -0.173
local terms energy: -50.462273
where:
bonds (distance) C4'-P energy: -8.539
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -3.773
tors. eta vs tors. theta energy: -7.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -75.884033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.884033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.884033 (E_RNA)
where:
Base-Base interactions energy: -30.686
where: short stacking energy: -28.995
Base-Backbone interact. energy: 1.504
local terms energy: -46.701947
where:
bonds (distance) C4'-P energy: -10.851
bonds (distance) P-C4' energy: -11.962
flat angles C4'-P-C4' energy: -11.726
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -3.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -73.073564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.073564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.073564 (E_RNA)
where:
Base-Base interactions energy: -33.791
where: short stacking energy: -20.840
Base-Backbone interact. energy: -0.496
local terms energy: -38.786862
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -7.595
flat angles P-C4'-P energy: -6.579
tors. eta vs tors. theta energy: 1.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -231.591237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.591237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.591237 (E_RNA)
where:
Base-Base interactions energy: -147.233
where: short stacking energy: -77.164
Base-Backbone interact. energy: -0.080
local terms energy: -84.278006
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -18.202
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: -22.875
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: 7
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -220.499648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.499648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.499648 (E_RNA)
where:
Base-Base interactions energy: -148.331
where: short stacking energy: -73.762
Base-Backbone interact. energy: -0.680
local terms energy: -71.488314
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -16.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -223.920819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.920819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.920819 (E_RNA)
where:
Base-Base interactions energy: -145.394
where: short stacking energy: -70.252
Base-Backbone interact. energy: -0.002
local terms energy: -78.525147
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -17.694
flat angles P-C4'-P energy: -10.777
tors. eta vs tors. theta energy: -21.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -218.404836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.404836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.404836 (E_RNA)
where:
Base-Base interactions energy: -142.664
where: short stacking energy: -68.022
Base-Backbone interact. energy: -0.279
local terms energy: -75.461788
where:
bonds (distance) C4'-P energy: -11.504
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -12.597
flat angles P-C4'-P energy: -13.686
tors. eta vs tors. theta energy: -20.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -214.361436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.361436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.361436 (E_RNA)
where:
Base-Base interactions energy: -146.428
where: short stacking energy: -71.607
Base-Backbone interact. energy: 0.662
local terms energy: -68.594990
where:
bonds (distance) C4'-P energy: -8.624
bonds (distance) P-C4' energy: -14.079
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -20.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -146.273361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.273361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.273361 (E_RNA)
where:
Base-Base interactions energy: -94.489
where: short stacking energy: -31.266
Base-Backbone interact. energy: -1.664
local terms energy: -50.120234
where:
bonds (distance) C4'-P energy: -9.868
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -10.846
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -3.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -137.595212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.595212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.595212 (E_RNA)
where:
Base-Base interactions energy: -84.658
where: short stacking energy: -44.464
Base-Backbone interact. energy: -0.082
local terms energy: -52.854817
where:
bonds (distance) C4'-P energy: -12.026
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -7.107
flat angles P-C4'-P energy: -6.085
tors. eta vs tors. theta energy: -12.719
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: 9
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -92.642366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.642366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.642366 (E_RNA)
where:
Base-Base interactions energy: -31.941
where: short stacking energy: -31.941
Base-Backbone interact. energy: -0.109
local terms energy: -60.592583
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -7.657
tors. eta vs tors. theta energy: -10.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -76.662068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.662068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.662068 (E_RNA)
where:
Base-Base interactions energy: -21.351
where: short stacking energy: -21.351
Base-Backbone interact. energy: -0.174
local terms energy: -55.136738
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -10.652
tors. eta vs tors. theta energy: -3.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -75.728672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.728672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.728672 (E_RNA)
where:
Base-Base interactions energy: -28.164
where: short stacking energy: -29.486
Base-Backbone interact. energy: 0.270
local terms energy: -47.835170
where:
bonds (distance) C4'-P energy: -12.122
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -9.968
flat angles P-C4'-P energy: -9.945
tors. eta vs tors. theta energy: -1.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -229.560798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.560798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.560798 (E_RNA)
where:
Base-Base interactions energy: -146.292
where: short stacking energy: -71.898
Base-Backbone interact. energy: -0.232
local terms energy: -83.036779
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -13.206
tors. eta vs tors. theta energy: -22.074
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: 7
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -230.250260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.250260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.250260 (E_RNA)
where:
Base-Base interactions energy: -150.853
where: short stacking energy: -75.069
Base-Backbone interact. energy: -0.001
local terms energy: -79.397126
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: -21.383
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: 3, replica: 6
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -223.538951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.538951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.538951 (E_RNA)
where:
Base-Base interactions energy: -147.210
where: short stacking energy: -75.309
Base-Backbone interact. energy: -0.026
local terms energy: -76.303199
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -13.704
flat angles C4'-P-C4' energy: -17.222
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -20.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -219.406703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.406703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.406703 (E_RNA)
where:
Base-Base interactions energy: -142.548
where: short stacking energy: -71.412
Base-Backbone interact. energy: -0.073
local terms energy: -76.786298
where:
bonds (distance) C4'-P energy: -12.677
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -18.191
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -20.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -204.651814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.651814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.651814 (E_RNA)
where:
Base-Base interactions energy: -136.444
where: short stacking energy: -62.674
Base-Backbone interact. energy: -1.116
local terms energy: -67.092490
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -13.087
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -15.571
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: 4
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -105.128408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.128408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.128408 (E_RNA)
where:
Base-Base interactions energy: -52.265
where: short stacking energy: -21.232
Base-Backbone interact. energy: -0.593
local terms energy: -52.271044
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -8.097
tors. eta vs tors. theta energy: -4.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -147.089990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.089990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.089990 (E_RNA)
where:
Base-Base interactions energy: -89.314
where: short stacking energy: -44.246
Base-Backbone interact. energy: 0.587
local terms energy: -58.363684
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -8.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -140.080079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.080079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.080079 (E_RNA)
where:
Base-Base interactions energy: -84.710
where: short stacking energy: -47.761
Base-Backbone interact. energy: -0.187
local terms energy: -55.183900
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -15.658
flat angles C4'-P-C4' energy: -12.743
flat angles P-C4'-P energy: -1.681
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: 9, replica: 1
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -77.101685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.101685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.101685 (E_RNA)
where:
Base-Base interactions energy: -31.045
where: short stacking energy: -23.832
Base-Backbone interact. energy: -0.774
local terms energy: -45.282159
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -10.843
flat angles P-C4'-P energy: -6.420
tors. eta vs tors. theta energy: 1.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -78.577332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.577332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.577332 (E_RNA)
where:
Base-Base interactions energy: -31.980
where: short stacking energy: -31.036
Base-Backbone interact. energy: -0.066
local terms energy: -46.531355
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -12.100
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: 1.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -231.742070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.742070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.742070 (E_RNA)
where:
Base-Base interactions energy: -155.509
where: short stacking energy: -67.742
Base-Backbone interact. energy: -0.065
local terms energy: -76.168170
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -12.950
tors. eta vs tors. theta energy: -15.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -222.159789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.159789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.159789 (E_RNA)
where:
Base-Base interactions energy: -147.273
where: short stacking energy: -78.764
Base-Backbone interact. energy: -1.298
local terms energy: -73.588319
where:
bonds (distance) C4'-P energy: -15.451
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -22.036
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: 7
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -226.209088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.209088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.209088 (E_RNA)
where:
Base-Base interactions energy: -147.384
where: short stacking energy: -75.167
Base-Backbone interact. energy: -0.013
local terms energy: -78.811650
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -14.516
flat angles C4'-P-C4' energy: -17.830
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: -22.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -222.341313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.341313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.341313 (E_RNA)
where:
Base-Base interactions energy: -143.256
where: short stacking energy: -67.377
Base-Backbone interact. energy: -0.347
local terms energy: -78.737979
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -17.639
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -18.180
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: 10
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -206.869466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.869466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.869466 (E_RNA)
where:
Base-Base interactions energy: -133.834
where: short stacking energy: -58.000
Base-Backbone interact. energy: -0.110
local terms energy: -72.925204
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -15.365
flat angles P-C4'-P energy: -13.390
tors. eta vs tors. theta energy: -14.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -127.375674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.375674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.375674 (E_RNA)
where:
Base-Base interactions energy: -70.422
where: short stacking energy: -44.586
Base-Backbone interact. energy: -0.025
local terms energy: -56.928306
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -10.694
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -9.881
tors. eta vs tors. theta energy: -9.858
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: 4
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -95.809852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.809852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.809852 (E_RNA)
where:
Base-Base interactions energy: -43.170
where: short stacking energy: -35.197
Base-Backbone interact. energy: -0.192
local terms energy: -52.448486
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -5.535
tors. eta vs tors. theta energy: -4.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -91.777214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.777214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.777214 (E_RNA)
where:
Base-Base interactions energy: -40.533
where: short stacking energy: -33.927
Base-Backbone interact. energy: -0.131
local terms energy: -51.113355
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -6.411
tors. eta vs tors. theta energy: -4.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -90.149235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.149235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.149235 (E_RNA)
where:
Base-Base interactions energy: -38.608
where: short stacking energy: -29.904
Base-Backbone interact. energy: -0.261
local terms energy: -51.280278
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -6.985
tors. eta vs tors. theta energy: -4.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -74.036103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.036103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.036103 (E_RNA)
where:
Base-Base interactions energy: -34.347
where: short stacking energy: -16.699
Base-Backbone interact. energy: -0.244
local terms energy: -39.445069
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -10.333
flat angles C4'-P-C4' energy: -11.647
flat angles P-C4'-P energy: -7.926
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: 6
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -229.643696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.643696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.643696 (E_RNA)
where:
Base-Base interactions energy: -148.965
where: short stacking energy: -76.942
Base-Backbone interact. energy: -0.426
local terms energy: -80.253072
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -24.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -226.733196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.733196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.733196 (E_RNA)
where:
Base-Base interactions energy: -161.441
where: short stacking energy: -74.331
Base-Backbone interact. energy: -0.575
local terms energy: -64.717081
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -10.488
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: -20.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -224.062677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.062677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.062677 (E_RNA)
where:
Base-Base interactions energy: -152.116
where: short stacking energy: -79.608
Base-Backbone interact. energy: -0.292
local terms energy: -71.654398
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -8.473
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -12.394
tors. eta vs tors. theta energy: -21.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -222.354941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.354941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.354941 (E_RNA)
where:
Base-Base interactions energy: -149.178
where: short stacking energy: -72.156
Base-Backbone interact. energy: -0.129
local terms energy: -73.047799
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -12.226
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -21.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -122.442426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.442426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.442426 (E_RNA)
where:
Base-Base interactions energy: -66.136
where: short stacking energy: -45.708
Base-Backbone interact. energy: 2.826
local terms energy: -59.132253
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -6.962
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: 10
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -205.239660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.239660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.239660 (E_RNA)
where:
Base-Base interactions energy: -139.183
where: short stacking energy: -71.375
Base-Backbone interact. energy: -1.910
local terms energy: -64.147554
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -10.425
flat angles C4'-P-C4' energy: -12.367
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -19.361
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: 5
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -101.676792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.676792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.676792 (E_RNA)
where:
Base-Base interactions energy: -39.330
where: short stacking energy: -35.104
Base-Backbone interact. energy: -0.587
local terms energy: -61.760253
where:
bonds (distance) C4'-P energy: -18.358
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -13.343
tors. eta vs tors. theta energy: -3.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -84.747090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.747090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.747090 (E_RNA)
where:
Base-Base interactions energy: -41.774
where: short stacking energy: -32.909
Base-Backbone interact. energy: -0.021
local terms energy: -42.951914
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -2.789
tors. eta vs tors. theta energy: -3.823
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: 3
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -75.924819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.924819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.924819 (E_RNA)
where:
Base-Base interactions energy: -23.852
where: short stacking energy: -24.252
Base-Backbone interact. energy: -0.054
local terms energy: -52.018043
where:
bonds (distance) C4'-P energy: -10.220
bonds (distance) P-C4' energy: -12.459
flat angles C4'-P-C4' energy: -15.903
flat angles P-C4'-P energy: -6.971
tors. eta vs tors. theta energy: -6.466
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: 1
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -74.686274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.686274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.686274 (E_RNA)
where:
Base-Base interactions energy: -29.777
where: short stacking energy: -26.899
Base-Backbone interact. energy: 1.007
local terms energy: -45.916525
where:
bonds (distance) C4'-P energy: -13.334
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -9.013
flat angles P-C4'-P energy: -6.909
tors. eta vs tors. theta energy: -2.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -236.617424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.617424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.617424 (E_RNA)
where:
Base-Base interactions energy: -158.038
where: short stacking energy: -78.000
Base-Backbone interact. energy: -0.001
local terms energy: -78.577992
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -15.294
flat angles C4'-P-C4' energy: -17.100
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -22.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -229.713211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.713211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.713211 (E_RNA)
where:
Base-Base interactions energy: -152.515
where: short stacking energy: -76.131
Base-Backbone interact. energy: -0.113
local terms energy: -77.085247
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -12.609
tors. eta vs tors. theta energy: -21.563
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: 8
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -230.658545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.658545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.658545 (E_RNA)
where:
Base-Base interactions energy: -153.509
where: short stacking energy: -72.491
Base-Backbone interact. energy: -0.631
local terms energy: -76.518727
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -12.206
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -23.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -215.577153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.577153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.577153 (E_RNA)
where:
Base-Base interactions energy: -141.172
where: short stacking energy: -73.763
Base-Backbone interact. energy: 0.300
local terms energy: -74.705020
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -12.949
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -20.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -142.908066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.908066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.908066 (E_RNA)
where:
Base-Base interactions energy: -80.522
where: short stacking energy: -42.159
Base-Backbone interact. energy: -0.014
local terms energy: -62.371968
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -12.585
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -8.675
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: 6, replica: 10
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -206.617841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.617841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.617841 (E_RNA)
where:
Base-Base interactions energy: -138.174
where: short stacking energy: -72.046
Base-Backbone interact. energy: -0.007
local terms energy: -68.437290
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -12.098
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -8.323
tors. eta vs tors. theta energy: -20.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -105.002541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.002541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.002541 (E_RNA)
where:
Base-Base interactions energy: -46.197
where: short stacking energy: -35.655
Base-Backbone interact. energy: -0.102
local terms energy: -58.703084
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -17.457
flat angles C4'-P-C4' energy: -13.145
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -4.773
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: 3
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -89.728183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.728183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.728183 (E_RNA)
where:
Base-Base interactions energy: -42.587
where: short stacking energy: -31.024
Base-Backbone interact. energy: -0.322
local terms energy: -46.819031
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -9.393
flat angles C4'-P-C4' energy: -11.853
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -2.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -84.425412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.425412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.425412 (E_RNA)
where:
Base-Base interactions energy: -38.444
where: short stacking energy: -20.923
Base-Backbone interact. energy: -0.126
local terms energy: -45.855691
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -12.263
flat angles P-C4'-P energy: -5.339
tors. eta vs tors. theta energy: 0.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -83.738711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.738711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.738711 (E_RNA)
where:
Base-Base interactions energy: -34.000
where: short stacking energy: -32.490
Base-Backbone interact. energy: -0.156
local terms energy: -49.582011
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -11.249
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -4.258
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: 2
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -232.382594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.382594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.382594 (E_RNA)
where:
Base-Base interactions energy: -155.532
where: short stacking energy: -77.851
Base-Backbone interact. energy: -0.321
local terms energy: -76.529766
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -15.978
flat angles P-C4'-P energy: -7.255
tors. eta vs tors. theta energy: -22.609
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: 6
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -232.798368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.798368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.798368 (E_RNA)
where:
Base-Base interactions energy: -150.895
where: short stacking energy: -70.551
Base-Backbone interact. energy: -0.001
local terms energy: -81.901977
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -16.223
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -12.649
tors. eta vs tors. theta energy: -22.597
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: 3, replica: 7
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -218.510923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.510923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.510923 (E_RNA)
where:
Base-Base interactions energy: -139.691
where: short stacking energy: -71.793
Base-Backbone interact. energy: -0.001
local terms energy: -78.818710
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -16.403
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -10.658
tors. eta vs tors. theta energy: -18.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -218.418395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.418395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.418395 (E_RNA)
where:
Base-Base interactions energy: -140.514
where: short stacking energy: -68.547
Base-Backbone interact. energy: -0.002
local terms energy: -77.902105
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -17.250
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: -22.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -210.234194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.234194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.234194 (E_RNA)
where:
Base-Base interactions energy: -135.769
where: short stacking energy: -63.277
Base-Backbone interact. energy: -0.439
local terms energy: -74.025891
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -16.630
flat angles C4'-P-C4' energy: -14.535
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: -18.046
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: 9
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -185.253556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.253556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.253556 (E_RNA)
where:
Base-Base interactions energy: -107.614
where: short stacking energy: -64.517
Base-Backbone interact. energy: -0.010
local terms energy: -77.629832
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -16.069
flat angles P-C4'-P energy: -13.824
tors. eta vs tors. theta energy: -18.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -90.717713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.717713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.717713 (E_RNA)
where:
Base-Base interactions energy: -36.974
where: short stacking energy: -36.918
Base-Backbone interact. energy: -0.080
local terms energy: -53.664150
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -10.042
flat angles P-C4'-P energy: -7.560
tors. eta vs tors. theta energy: -7.132
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: 8, replica: 5
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -90.689810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.689810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.689810 (E_RNA)
where:
Base-Base interactions energy: -41.093
where: short stacking energy: -26.744
Base-Backbone interact. energy: 0.997
local terms energy: -50.594311
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -10.264
flat angles C4'-P-C4' energy: -10.923
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -4.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -82.483851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.483851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.483851 (E_RNA)
where:
Base-Base interactions energy: -29.835
where: short stacking energy: -27.162
Base-Backbone interact. energy: -0.037
local terms energy: -52.611819
where:
bonds (distance) C4'-P energy: -10.881
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -13.291
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -4.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -97.615612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.615612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.615612 (E_RNA)
where:
Base-Base interactions energy: -41.476
where: short stacking energy: -31.816
Base-Backbone interact. energy: -0.357
local terms energy: -55.782881
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: -2.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -231.248280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.248280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.248280 (E_RNA)
where:
Base-Base interactions energy: -145.208
where: short stacking energy: -68.911
Base-Backbone interact. energy: -0.001
local terms energy: -86.040099
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -17.119
flat angles P-C4'-P energy: -13.604
tors. eta vs tors. theta energy: -22.590
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: 6
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -227.025754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.025754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.025754 (E_RNA)
where:
Base-Base interactions energy: -151.606
where: short stacking energy: -70.564
Base-Backbone interact. energy: -0.590
local terms energy: -74.830432
where:
bonds (distance) C4'-P energy: -8.121
bonds (distance) P-C4' energy: -14.805
flat angles C4'-P-C4' energy: -17.579
flat angles P-C4'-P energy: -14.113
tors. eta vs tors. theta energy: -20.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -225.326121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.326121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.326121 (E_RNA)
where:
Base-Base interactions energy: -146.026
where: short stacking energy: -66.697
Base-Backbone interact. energy: -0.001
local terms energy: -79.298462
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -16.291
flat angles P-C4'-P energy: -12.325
tors. eta vs tors. theta energy: -19.995
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: 8
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -205.959413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.959413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.959413 (E_RNA)
where:
Base-Base interactions energy: -138.304
where: short stacking energy: -61.614
Base-Backbone interact. energy: -0.101
local terms energy: -67.554859
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -5.919
tors. eta vs tors. theta energy: -15.360
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: 10
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -217.968079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.968079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.968079 (E_RNA)
where:
Base-Base interactions energy: -144.720
where: short stacking energy: -68.457
Base-Backbone interact. energy: -0.043
local terms energy: -73.205040
where:
bonds (distance) C4'-P energy: -9.715
bonds (distance) P-C4' energy: -16.884
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: -19.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -125.414636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.414636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.414636 (E_RNA)
where:
Base-Base interactions energy: -72.208
where: short stacking energy: -39.075
Base-Backbone interact. energy: -0.412
local terms energy: -52.794803
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -9.632
flat angles P-C4'-P energy: -2.482
tors. eta vs tors. theta energy: -6.521
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: 3
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -91.922963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.922963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.922963 (E_RNA)
where:
Base-Base interactions energy: -40.097
where: short stacking energy: -36.364
Base-Backbone interact. energy: -0.104
local terms energy: -51.721201
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -11.319
flat angles P-C4'-P energy: -4.089
tors. eta vs tors. theta energy: -6.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -85.966815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.966815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.966815 (E_RNA)
where:
Base-Base interactions energy: -31.595
where: short stacking energy: -27.295
Base-Backbone interact. energy: -0.135
local terms energy: -54.237197
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -12.646
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: -11.954
tors. eta vs tors. theta energy: -1.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -74.045427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.045427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.045427 (E_RNA)
where:
Base-Base interactions energy: -30.851
where: short stacking energy: -25.937
Base-Backbone interact. energy: -0.297
local terms energy: -42.898050
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -9.914
flat angles C4'-P-C4' energy: -11.257
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: 2.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -70.121925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.121925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.121925 (E_RNA)
where:
Base-Base interactions energy: -25.050
where: short stacking energy: -22.153
Base-Backbone interact. energy: -0.217
local terms energy: -44.855094
where:
bonds (distance) C4'-P energy: -13.980
bonds (distance) P-C4' energy: -11.811
flat angles C4'-P-C4' energy: -11.734
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: 1.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -230.654204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.654204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.654204 (E_RNA)
where:
Base-Base interactions energy: -142.787
where: short stacking energy: -67.653
Base-Backbone interact. energy: -0.214
local terms energy: -87.653081
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -17.643
flat angles P-C4'-P energy: -14.057
tors. eta vs tors. theta energy: -21.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -230.240835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.240835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.240835 (E_RNA)
where:
Base-Base interactions energy: -147.146
where: short stacking energy: -79.118
Base-Backbone interact. energy: -0.969
local terms energy: -82.125988
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -12.952
tors. eta vs tors. theta energy: -22.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -227.004264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.004264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.004264 (E_RNA)
where:
Base-Base interactions energy: -149.149
where: short stacking energy: -70.220
Base-Backbone interact. energy: -0.004
local terms energy: -77.851624
where:
bonds (distance) C4'-P energy: -11.747
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -11.778
tors. eta vs tors. theta energy: -22.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -221.543305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.543305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.543305 (E_RNA)
where:
Base-Base interactions energy: -146.278
where: short stacking energy: -75.922
Base-Backbone interact. energy: -0.654
local terms energy: -74.611968
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -10.372
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: -20.192
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: 10
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -215.639069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.639069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.639069 (E_RNA)
where:
Base-Base interactions energy: -142.477
where: short stacking energy: -69.687
Base-Backbone interact. energy: -0.000
local terms energy: -73.161880
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -14.280
flat angles C4'-P-C4' energy: -17.027
flat angles P-C4'-P energy: -7.634
tors. eta vs tors. theta energy: -22.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -108.427744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.427744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.427744 (E_RNA)
where:
Base-Base interactions energy: -50.529
where: short stacking energy: -37.553
Base-Backbone interact. energy: -0.142
local terms energy: -57.756667
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -12.079
flat angles P-C4'-P energy: -5.302
tors. eta vs tors. theta energy: -9.547
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: 3
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -97.314240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.314240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.314240 (E_RNA)
where:
Base-Base interactions energy: -37.626
where: short stacking energy: -37.626
Base-Backbone interact. energy: -0.072
local terms energy: -59.615807
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -13.580
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -8.355
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: 8, replica: 5
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -101.235355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.235355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.235355 (E_RNA)
where:
Base-Base interactions energy: -48.619
where: short stacking energy: -34.924
Base-Backbone interact. energy: 0.309
local terms energy: -52.925312
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -12.696
flat angles P-C4'-P energy: -5.330
tors. eta vs tors. theta energy: -3.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -79.834335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.834335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.834335 (E_RNA)
where:
Base-Base interactions energy: -43.386
where: short stacking energy: -37.024
Base-Backbone interact. energy: 0.470
local terms energy: -36.918187
where:
bonds (distance) C4'-P energy: -5.131
bonds (distance) P-C4' energy: -11.172
flat angles C4'-P-C4' energy: -11.549
flat angles P-C4'-P energy: -4.910
tors. eta vs tors. theta energy: -4.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -78.930510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.930510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.930510 (E_RNA)
where:
Base-Base interactions energy: -28.017
where: short stacking energy: -18.671
Base-Backbone interact. energy: -0.220
local terms energy: -50.693068
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -8.903
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -4.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -234.146299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.146299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.146299 (E_RNA)
where:
Base-Base interactions energy: -150.608
where: short stacking energy: -77.916
Base-Backbone interact. energy: -0.035
local terms energy: -83.503862
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -14.801
flat angles C4'-P-C4' energy: -17.651
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -23.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -228.096118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.096118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.096118 (E_RNA)
where:
Base-Base interactions energy: -148.959
where: short stacking energy: -69.967
Base-Backbone interact. energy: -0.006
local terms energy: -79.130865
where:
bonds (distance) C4'-P energy: -16.541
bonds (distance) P-C4' energy: -15.143
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -10.025
tors. eta vs tors. theta energy: -20.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -215.143481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.143481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.143481 (E_RNA)
where:
Base-Base interactions energy: -137.368
where: short stacking energy: -62.295
Base-Backbone interact. energy: -0.447
local terms energy: -77.328959
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -14.599
flat angles C4'-P-C4' energy: -15.747
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -20.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -210.422027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.422027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.422027 (E_RNA)
where:
Base-Base interactions energy: -138.316
where: short stacking energy: -66.170
Base-Backbone interact. energy: -0.569
local terms energy: -71.537719
where:
bonds (distance) C4'-P energy: -10.403
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -14.572
flat angles P-C4'-P energy: -13.693
tors. eta vs tors. theta energy: -18.249
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: 7
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -216.139676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.139676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.139676 (E_RNA)
where:
Base-Base interactions energy: -139.177
where: short stacking energy: -67.024
Base-Backbone interact. energy: -0.530
local terms energy: -76.433400
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -20.984
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: 9
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -106.845903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.845903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.845903 (E_RNA)
where:
Base-Base interactions energy: -52.221
where: short stacking energy: -41.384
Base-Backbone interact. energy: 1.803
local terms energy: -56.428268
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -16.648
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -4.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -87.019499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.019499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.019499 (E_RNA)
where:
Base-Base interactions energy: -30.933
where: short stacking energy: -25.859
Base-Backbone interact. energy: 4.331
local terms energy: -60.416847
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -10.336
tors. eta vs tors. theta energy: -5.561
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: 8, replica: 4
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -78.683713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.683713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.683713 (E_RNA)
where:
Base-Base interactions energy: -29.066
where: short stacking energy: -16.445
Base-Backbone interact. energy: 0.397
local terms energy: -50.014777
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -7.348
tors. eta vs tors. theta energy: 0.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -86.108643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.108643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.108643 (E_RNA)
where:
Base-Base interactions energy: -35.061
where: short stacking energy: -22.973
Base-Backbone interact. energy: -0.257
local terms energy: -50.790943
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -12.089
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -3.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -75.308431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.308431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.308431 (E_RNA)
where:
Base-Base interactions energy: -24.054
where: short stacking energy: -15.588
Base-Backbone interact. energy: -0.081
local terms energy: -51.173175
where:
bonds (distance) C4'-P energy: -12.197
bonds (distance) P-C4' energy: -12.147
flat angles C4'-P-C4' energy: -13.150
flat angles P-C4'-P energy: -12.214
tors. eta vs tors. theta energy: -1.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -226.752650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.752650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.752650 (E_RNA)
where:
Base-Base interactions energy: -147.094
where: short stacking energy: -73.685
Base-Backbone interact. energy: -0.010
local terms energy: -79.648423
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -18.231
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: -21.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -225.996522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.996522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.996522 (E_RNA)
where:
Base-Base interactions energy: -147.492
where: short stacking energy: -72.558
Base-Backbone interact. energy: -0.090
local terms energy: -78.413845
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -17.937
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -22.036
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: 10
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -217.706238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.706238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.706238 (E_RNA)
where:
Base-Base interactions energy: -140.412
where: short stacking energy: -73.297
Base-Backbone interact. energy: -0.887
local terms energy: -76.406573
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -11.375
tors. eta vs tors. theta energy: -21.748
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: 4, replica: 2
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -210.642751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.642751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.642751 (E_RNA)
where:
Base-Base interactions energy: -137.490
where: short stacking energy: -62.001
Base-Backbone interact. energy: -0.046
local terms energy: -73.106891
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -12.901
tors. eta vs tors. theta energy: -14.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -202.950965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.950965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.950965 (E_RNA)
where:
Base-Base interactions energy: -127.494
where: short stacking energy: -61.834
Base-Backbone interact. energy: -0.152
local terms energy: -75.305342
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -17.867
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: 9
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -95.343143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.343143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.343143 (E_RNA)
where:
Base-Base interactions energy: -37.651
where: short stacking energy: -28.195
Base-Backbone interact. energy: -0.283
local terms energy: -57.409545
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -13.649
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -2.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -134.360571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.360571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.360571 (E_RNA)
where:
Base-Base interactions energy: -82.070
where: short stacking energy: -38.786
Base-Backbone interact. energy: -0.141
local terms energy: -52.149766
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -11.733
flat angles P-C4'-P energy: -7.579
tors. eta vs tors. theta energy: -3.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -90.791011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.791011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.791011 (E_RNA)
where:
Base-Base interactions energy: -38.306
where: short stacking energy: -24.762
Base-Backbone interact. energy: -0.346
local terms energy: -52.138749
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -10.908
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -2.831
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: 1
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -84.057037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.057037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.057037 (E_RNA)
where:
Base-Base interactions energy: -37.162
where: short stacking energy: -29.304
Base-Backbone interact. energy: -0.009
local terms energy: -46.885672
where:
bonds (distance) C4'-P energy: -9.871
bonds (distance) P-C4' energy: -10.300
flat angles C4'-P-C4' energy: -11.852
flat angles P-C4'-P energy: -8.601
tors. eta vs tors. theta energy: -6.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -81.723206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.723206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.723206 (E_RNA)
where:
Base-Base interactions energy: -32.185
where: short stacking energy: -22.905
Base-Backbone interact. energy: -1.473
local terms energy: -48.065249
where:
bonds (distance) C4'-P energy: -11.507
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -6.599
flat angles P-C4'-P energy: -2.617
tors. eta vs tors. theta energy: -11.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -226.566493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.566493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.566493 (E_RNA)
where:
Base-Base interactions energy: -146.127
where: short stacking energy: -61.569
Base-Backbone interact. energy: -0.811
local terms energy: -79.628288
where:
bonds (distance) C4'-P energy: -16.422
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -16.241
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -16.658
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: 2, replica: 10
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -231.300011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.300011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.300011 (E_RNA)
where:
Base-Base interactions energy: -155.594
where: short stacking energy: -75.455
Base-Backbone interact. energy: -0.068
local terms energy: -75.637257
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -10.192
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -22.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -220.926306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.926306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.926306 (E_RNA)
where:
Base-Base interactions energy: -149.160
where: short stacking energy: -74.037
Base-Backbone interact. energy: -0.642
local terms energy: -71.125130
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -20.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -209.719027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.719027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.719027 (E_RNA)
where:
Base-Base interactions energy: -140.315
where: short stacking energy: -64.331
Base-Backbone interact. energy: -0.013
local terms energy: -69.391671
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -12.847
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -12.369
tors. eta vs tors. theta energy: -16.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -203.347135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.347135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.347135 (E_RNA)
where:
Base-Base interactions energy: -130.706
where: short stacking energy: -67.918
Base-Backbone interact. energy: -0.001
local terms energy: -72.640583
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -18.229
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: 143
Temperature: 1.150000
Total energy: -155.021545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.021545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.021545 (E_RNA)
where:
Base-Base interactions energy: -92.807
where: short stacking energy: -57.313
Base-Backbone interact. energy: -0.203
local terms energy: -62.011876
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -12.141
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -5.269
tors. eta vs tors. theta energy: -15.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -94.515889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.515889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.515889 (E_RNA)
where:
Base-Base interactions energy: -39.894
where: short stacking energy: -39.894
Base-Backbone interact. energy: -0.127
local terms energy: -54.495027
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -8.701
flat angles C4'-P-C4' energy: -11.243
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: -12.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -83.249803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.249803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.249803 (E_RNA)
where:
Base-Base interactions energy: -31.672
where: short stacking energy: -31.672
Base-Backbone interact. energy: -0.139
local terms energy: -51.438756
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -9.681
flat angles C4'-P-C4' energy: -13.284
flat angles P-C4'-P energy: -12.300
tors. eta vs tors. theta energy: -2.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -80.885037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.885037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.885037 (E_RNA)
where:
Base-Base interactions energy: -34.541
where: short stacking energy: -34.541
Base-Backbone interact. energy: -0.116
local terms energy: -46.227690
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -11.106
flat angles P-C4'-P energy: -3.700
tors. eta vs tors. theta energy: -5.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -74.164392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.164392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.164392 (E_RNA)
where:
Base-Base interactions energy: -22.769
where: short stacking energy: -22.769
Base-Backbone interact. energy: -0.071
local terms energy: -51.324744
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -12.221
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -10.691
tors. eta vs tors. theta energy: -3.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -234.539148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.539148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.539148 (E_RNA)
where:
Base-Base interactions energy: -158.617
where: short stacking energy: -72.834
Base-Backbone interact. energy: -0.644
local terms energy: -75.278512
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -13.339
flat angles P-C4'-P energy: -12.185
tors. eta vs tors. theta energy: -20.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -226.245807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.245807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.245807 (E_RNA)
where:
Base-Base interactions energy: -151.391
where: short stacking energy: -74.509
Base-Backbone interact. energy: -0.005
local terms energy: -74.849753
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -11.836
tors. eta vs tors. theta energy: -19.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -221.893816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.893816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.893816 (E_RNA)
where:
Base-Base interactions energy: -145.309
where: short stacking energy: -66.902
Base-Backbone interact. energy: -0.403
local terms energy: -76.181188
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -19.751
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: 144
Temperature: 1.050000
Total energy: -218.852490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.852490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.852490 (E_RNA)
where:
Base-Base interactions energy: -144.208
where: short stacking energy: -75.044
Base-Backbone interact. energy: -0.000
local terms energy: -74.644144
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -10.873
tors. eta vs tors. theta energy: -19.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -208.496177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.496177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.496177 (E_RNA)
where:
Base-Base interactions energy: -142.490
where: short stacking energy: -74.051
Base-Backbone interact. energy: -0.355
local terms energy: -65.650300
where:
bonds (distance) C4'-P energy: -11.524
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -10.606
tors. eta vs tors. theta energy: -15.242
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: 4
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -163.341921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.341921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.341921 (E_RNA)
where:
Base-Base interactions energy: -97.285
where: short stacking energy: -49.520
Base-Backbone interact. energy: -0.802
local terms energy: -65.254831
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -12.537
flat angles P-C4'-P energy: -10.780
tors. eta vs tors. theta energy: -13.424
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: 1
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -91.197751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.197751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.197751 (E_RNA)
where:
Base-Base interactions energy: -36.970
where: short stacking energy: -25.709
Base-Backbone interact. energy: -0.213
local terms energy: -54.014348
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -0.965
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: 9
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -84.850599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.850599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.850599 (E_RNA)
where:
Base-Base interactions energy: -29.068
where: short stacking energy: -21.807
Base-Backbone interact. energy: -0.092
local terms energy: -55.690876
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -11.613
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -3.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -94.576245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.576245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.576245 (E_RNA)
where:
Base-Base interactions energy: -44.632
where: short stacking energy: -43.039
Base-Backbone interact. energy: -0.092
local terms energy: -49.852689
where:
bonds (distance) C4'-P energy: -11.881
bonds (distance) P-C4' energy: -9.152
flat angles C4'-P-C4' energy: -12.232
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -8.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -78.776875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.776875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.776875 (E_RNA)
where:
Base-Base interactions energy: -40.919
where: short stacking energy: -17.711
Base-Backbone interact. energy: 0.748
local terms energy: -38.605407
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -13.588
flat angles C4'-P-C4' energy: -10.455
flat angles P-C4'-P energy: -6.719
tors. eta vs tors. theta energy: 5.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -225.817497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.817497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.817497 (E_RNA)
where:
Base-Base interactions energy: -146.335
where: short stacking energy: -72.397
Base-Backbone interact. energy: 1.017
local terms energy: -80.498669
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -18.273
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: -21.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -223.226377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.226377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.226377 (E_RNA)
where:
Base-Base interactions energy: -141.275
where: short stacking energy: -69.248
Base-Backbone interact. energy: -0.592
local terms energy: -81.358760
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -12.908
tors. eta vs tors. theta energy: -20.370
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: 3, replica: 8
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -226.677508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.677508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.677508 (E_RNA)
where:
Base-Base interactions energy: -148.253
where: short stacking energy: -69.935
Base-Backbone interact. energy: -0.025
local terms energy: -78.399209
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -19.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -211.810770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.810770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.810770 (E_RNA)
where:
Base-Base interactions energy: -137.054
where: short stacking energy: -65.650
Base-Backbone interact. energy: 0.168
local terms energy: -74.925173
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -15.049
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -18.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -218.607727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.607727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.607727 (E_RNA)
where:
Base-Base interactions energy: -144.662
where: short stacking energy: -66.775
Base-Backbone interact. energy: -0.022
local terms energy: -73.924203
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -18.114
flat angles P-C4'-P energy: -9.371
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: 6, replica: 4
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -155.619428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.619428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.619428 (E_RNA)
where:
Base-Base interactions energy: -100.500
where: short stacking energy: -54.843
Base-Backbone interact. energy: -0.107
local terms energy: -55.012609
where:
bonds (distance) C4'-P energy: -9.674
bonds (distance) P-C4' energy: -10.636
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: -11.878
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: 1
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -101.288799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.288799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.288799 (E_RNA)
where:
Base-Base interactions energy: -48.629
where: short stacking energy: -49.229
Base-Backbone interact. energy: -0.006
local terms energy: -52.653896
where:
bonds (distance) C4'-P energy: -7.976
bonds (distance) P-C4' energy: -10.634
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -7.519
tors. eta vs tors. theta energy: -10.431
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: 8, replica: 5
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -82.753594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.753594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.753594 (E_RNA)
where:
Base-Base interactions energy: -27.441
where: short stacking energy: -27.388
Base-Backbone interact. energy: -0.062
local terms energy: -55.250546
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -12.370
flat angles P-C4'-P energy: -8.043
tors. eta vs tors. theta energy: -3.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -86.477660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.477660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.477660 (E_RNA)
where:
Base-Base interactions energy: -31.083
where: short stacking energy: -24.639
Base-Backbone interact. energy: -0.179
local terms energy: -55.215257
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -11.625
flat angles C4'-P-C4' energy: -12.166
flat angles P-C4'-P energy: -12.573
tors. eta vs tors. theta energy: -5.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -74.677491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.677491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.677491 (E_RNA)
where:
Base-Base interactions energy: -18.422
where: short stacking energy: -16.231
Base-Backbone interact. energy: -0.324
local terms energy: -55.931315
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -0.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -233.589934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.589934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.589934 (E_RNA)
where:
Base-Base interactions energy: -154.492
where: short stacking energy: -76.636
Base-Backbone interact. energy: -1.331
local terms energy: -77.766508
where:
bonds (distance) C4'-P energy: -12.325
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: -20.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -221.729953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.729953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.729953 (E_RNA)
where:
Base-Base interactions energy: -146.669
where: short stacking energy: -70.674
Base-Backbone interact. energy: -0.003
local terms energy: -75.057594
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -12.073
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -12.819
tors. eta vs tors. theta energy: -21.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -224.404543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.404543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.404543 (E_RNA)
where:
Base-Base interactions energy: -152.149
where: short stacking energy: -75.034
Base-Backbone interact. energy: -0.015
local terms energy: -72.241237
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -6.242
tors. eta vs tors. theta energy: -22.747
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: 146
Temperature: 1.050000
Total energy: -214.700348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.700348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.700348 (E_RNA)
where:
Base-Base interactions energy: -148.319
where: short stacking energy: -72.132
Base-Backbone interact. energy: -0.689
local terms energy: -65.692418
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -10.695
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -18.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -221.848924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.848924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.848924 (E_RNA)
where:
Base-Base interactions energy: -149.565
where: short stacking energy: -59.406
Base-Backbone interact. energy: -0.090
local terms energy: -72.194572
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -17.637
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: -20.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -176.435296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.435296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.435296 (E_RNA)
where:
Base-Base interactions energy: -110.040
where: short stacking energy: -55.670
Base-Backbone interact. energy: -0.077
local terms energy: -66.318517
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -13.858
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: -14.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -86.509241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.509241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.509241 (E_RNA)
where:
Base-Base interactions energy: -37.027
where: short stacking energy: -25.130
Base-Backbone interact. energy: -0.411
local terms energy: -49.071040
where:
bonds (distance) C4'-P energy: -14.027
bonds (distance) P-C4' energy: -17.636
flat angles C4'-P-C4' energy: -11.658
flat angles P-C4'-P energy: -5.637
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: 8, replica: 1
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -93.128551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.128551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.128551 (E_RNA)
where:
Base-Base interactions energy: -40.842
where: short stacking energy: -27.968
Base-Backbone interact. energy: -1.219
local terms energy: -51.067550
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -9.214
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -4.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -76.765569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.765569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.765569 (E_RNA)
where:
Base-Base interactions energy: -29.183
where: short stacking energy: -20.637
Base-Backbone interact. energy: -0.740
local terms energy: -46.842585
where:
bonds (distance) C4'-P energy: -13.748
bonds (distance) P-C4' energy: -10.487
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -5.932
tors. eta vs tors. theta energy: -3.529
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: 10, replica: 9
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -72.812393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.812393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.812393 (E_RNA)
where:
Base-Base interactions energy: -20.903
where: short stacking energy: -20.903
Base-Backbone interact. energy: -0.880
local terms energy: -51.028855
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -8.828
flat angles P-C4'-P energy: -7.806
tors. eta vs tors. theta energy: -4.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -234.557105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.557105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.557105 (E_RNA)
where:
Base-Base interactions energy: -155.977
where: short stacking energy: -76.790
Base-Backbone interact. energy: -0.589
local terms energy: -77.990687
where:
bonds (distance) C4'-P energy: -11.094
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -23.859
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: 147
Temperature: 0.950000
Total energy: -225.615207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.615207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.615207 (E_RNA)
where:
Base-Base interactions energy: -154.052
where: short stacking energy: -76.661
Base-Backbone interact. energy: 0.467
local terms energy: -72.030472
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -12.188
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -18.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -223.703371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.703371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.703371 (E_RNA)
where:
Base-Base interactions energy: -148.340
where: short stacking energy: -66.973
Base-Backbone interact. energy: -0.041
local terms energy: -75.321499
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -19.148
flat angles C4'-P-C4' energy: -12.359
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -18.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -217.388908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.388908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.388908 (E_RNA)
where:
Base-Base interactions energy: -144.772
where: short stacking energy: -69.903
Base-Backbone interact. energy: -0.212
local terms energy: -72.404956
where:
bonds (distance) C4'-P energy: -11.748
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -17.032
flat angles P-C4'-P energy: -9.226
tors. eta vs tors. theta energy: -17.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -210.165884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.165884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.165884 (E_RNA)
where:
Base-Base interactions energy: -141.878
where: short stacking energy: -60.883
Base-Backbone interact. energy: -0.489
local terms energy: -67.799095
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -16.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -175.319469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.319469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.319469 (E_RNA)
where:
Base-Base interactions energy: -109.862
where: short stacking energy: -41.432
Base-Backbone interact. energy: -0.021
local terms energy: -65.436072
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -7.669
tors. eta vs tors. theta energy: -12.410
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: 7, replica: 5
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -85.263984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.263984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.263984 (E_RNA)
where:
Base-Base interactions energy: -39.844
where: short stacking energy: -25.196
Base-Backbone interact. energy: -0.550
local terms energy: -44.870679
where:
bonds (distance) C4'-P energy: -9.522
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: 3.386
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: 3
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -82.817426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.817426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.817426 (E_RNA)
where:
Base-Base interactions energy: -35.832
where: short stacking energy: -27.302
Base-Backbone interact. energy: -0.273
local terms energy: -46.711497
where:
bonds (distance) C4'-P energy: -10.201
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -8.022
flat angles P-C4'-P energy: -8.069
tors. eta vs tors. theta energy: -3.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -82.631469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.631469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.631469 (E_RNA)
where:
Base-Base interactions energy: -43.115
where: short stacking energy: -19.946
Base-Backbone interact. energy: 2.066
local terms energy: -41.582480
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -13.570
flat angles C4'-P-C4' energy: -9.895
flat angles P-C4'-P energy: -5.921
tors. eta vs tors. theta energy: 0.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -77.288378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.288378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.288378 (E_RNA)
where:
Base-Base interactions energy: -30.082
where: short stacking energy: -25.007
Base-Backbone interact. energy: -0.416
local terms energy: -46.790042
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -10.317
flat angles C4'-P-C4' energy: -12.173
flat angles P-C4'-P energy: -6.554
tors. eta vs tors. theta energy: -1.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -228.179137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.179137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.179137 (E_RNA)
where:
Base-Base interactions energy: -150.103
where: short stacking energy: -72.667
Base-Backbone interact. energy: -0.810
local terms energy: -77.265816
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -12.824
tors. eta vs tors. theta energy: -19.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -227.281223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.281223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.281223 (E_RNA)
where:
Base-Base interactions energy: -151.136
where: short stacking energy: -73.180
Base-Backbone interact. energy: -0.713
local terms energy: -75.432630
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -17.761
flat angles P-C4'-P energy: -7.332
tors. eta vs tors. theta energy: -22.841
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: 3, replica: 2
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -220.445189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.445189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.445189 (E_RNA)
where:
Base-Base interactions energy: -147.045
where: short stacking energy: -67.543
Base-Backbone interact. energy: -0.008
local terms energy: -73.392222
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -16.215
flat angles C4'-P-C4' energy: -17.570
flat angles P-C4'-P energy: -4.959
tors. eta vs tors. theta energy: -20.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -213.295958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.295958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.295958 (E_RNA)
where:
Base-Base interactions energy: -147.330
where: short stacking energy: -64.616
Base-Backbone interact. energy: -0.173
local terms energy: -65.793162
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -9.395
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -17.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -213.159025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.159025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.159025 (E_RNA)
where:
Base-Base interactions energy: -140.675
where: short stacking energy: -69.877
Base-Backbone interact. energy: -1.441
local terms energy: -71.042631
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -13.507
flat angles P-C4'-P energy: -11.513
tors. eta vs tors. theta energy: -18.613
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: 4
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -195.672497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.672497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.672497 (E_RNA)
where:
Base-Base interactions energy: -121.394
where: short stacking energy: -60.922
Base-Backbone interact. energy: -0.007
local terms energy: -74.272210
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -17.284
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: -14.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -97.895835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.895835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.895835 (E_RNA)
where:
Base-Base interactions energy: -44.561
where: short stacking energy: -29.227
Base-Backbone interact. energy: -0.065
local terms energy: -53.269584
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -10.904
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -3.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -86.189163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.189163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.189163 (E_RNA)
where:
Base-Base interactions energy: -29.517
where: short stacking energy: -22.361
Base-Backbone interact. energy: -0.104
local terms energy: -56.568131
where:
bonds (distance) C4'-P energy: -14.403
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -7.007
tors. eta vs tors. theta energy: -3.672
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: 9, replica: 9
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -87.449237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.449237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.449237 (E_RNA)
where:
Base-Base interactions energy: -42.383
where: short stacking energy: -24.256
Base-Backbone interact. energy: -0.311
local terms energy: -44.755392
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -11.180
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -3.667
tors. eta vs tors. theta energy: -4.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -75.758045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.758045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.758045 (E_RNA)
where:
Base-Base interactions energy: -33.703
where: short stacking energy: -23.645
Base-Backbone interact. energy: -0.161
local terms energy: -41.894771
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -12.196
flat angles C4'-P-C4' energy: -11.438
flat angles P-C4'-P energy: -3.868
tors. eta vs tors. theta energy: -1.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -230.910446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.910446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.910446 (E_RNA)
where:
Base-Base interactions energy: -149.798
where: short stacking energy: -76.042
Base-Backbone interact. energy: -1.394
local terms energy: -79.718304
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -12.235
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -24.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -231.516725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.516725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.516725 (E_RNA)
where:
Base-Base interactions energy: -148.280
where: short stacking energy: -72.353
Base-Backbone interact. energy: -0.090
local terms energy: -83.146813
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -17.612
flat angles P-C4'-P energy: -14.597
tors. eta vs tors. theta energy: -22.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -224.995033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.995033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.995033 (E_RNA)
where:
Base-Base interactions energy: -145.477
where: short stacking energy: -71.397
Base-Backbone interact. energy: -0.000
local terms energy: -79.517975
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -16.729
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: -21.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -221.184208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.184208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.184208 (E_RNA)
where:
Base-Base interactions energy: -147.170
where: short stacking energy: -69.715
Base-Backbone interact. energy: -0.126
local terms energy: -73.887815
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: -19.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -218.304573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.304573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.304573 (E_RNA)
where:
Base-Base interactions energy: -144.880
where: short stacking energy: -73.525
Base-Backbone interact. energy: -0.000
local terms energy: -73.423975
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -11.169
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -20.128
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: 6, replica: 4
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -169.563935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.563935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.563935 (E_RNA)
where:
Base-Base interactions energy: -103.170
where: short stacking energy: -43.725
Base-Backbone interact. energy: -0.443
local terms energy: -65.951299
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -15.307
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -11.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -102.486777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.486777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.486777 (E_RNA)
where:
Base-Base interactions energy: -38.357
where: short stacking energy: -38.357
Base-Backbone interact. energy: -0.110
local terms energy: -64.020374
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -12.529
tors. eta vs tors. theta energy: -8.541
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: 9
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -91.547272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.547272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.547272 (E_RNA)
where:
Base-Base interactions energy: -38.845
where: short stacking energy: -38.845
Base-Backbone interact. energy: -0.768
local terms energy: -51.933485
where:
bonds (distance) C4'-P energy: -10.220
bonds (distance) P-C4' energy: -13.533
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -7.916
tors. eta vs tors. theta energy: -6.040
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: 5
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -76.990876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.990876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.990876 (E_RNA)
where:
Base-Base interactions energy: -31.650
where: short stacking energy: -21.801
Base-Backbone interact. energy: -1.009
local terms energy: -44.331787
where:
bonds (distance) C4'-P energy: -16.256
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -9.779
flat angles P-C4'-P energy: -4.945
tors. eta vs tors. theta energy: 0.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -113.288716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.288716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.288716 (E_RNA)
where:
Base-Base interactions energy: -60.158
where: short stacking energy: -37.668
Base-Backbone interact. energy: -0.319
local terms energy: -52.812059
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -12.612
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -5.209
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: 2
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -221.312813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.312813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.312813 (E_RNA)
where:
Base-Base interactions energy: -146.557
where: short stacking energy: -67.400
Base-Backbone interact. energy: -0.468
local terms energy: -74.287867
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -6.759
tors. eta vs tors. theta energy: -19.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -209.718327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.718327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.718327 (E_RNA)
where:
Base-Base interactions energy: -138.847
where: short stacking energy: -75.401
Base-Backbone interact. energy: -0.003
local terms energy: -70.868238
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -13.844
flat angles P-C4'-P energy: -12.502
tors. eta vs tors. theta energy: -17.137
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: 3, replica: 7
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -214.438899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.438899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.438899 (E_RNA)
where:
Base-Base interactions energy: -146.216
where: short stacking energy: -69.972
Base-Backbone interact. energy: -0.002
local terms energy: -68.220606
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -10.351
flat angles C4'-P-C4' energy: -11.662
flat angles P-C4'-P energy: -12.391
tors. eta vs tors. theta energy: -19.295
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: 8
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -222.379722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.379722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.379722 (E_RNA)
where:
Base-Base interactions energy: -146.328
where: short stacking energy: -72.526
Base-Backbone interact. energy: -0.255
local terms energy: -75.797177
where:
bonds (distance) C4'-P energy: -16.400
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -20.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -185.049764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.049764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.049764 (E_RNA)
where:
Base-Base interactions energy: -115.408
where: short stacking energy: -55.982
Base-Backbone interact. energy: -0.030
local terms energy: -69.611477
where:
bonds (distance) C4'-P energy: -11.723
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: -16.235
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: 6
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -216.653484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.653484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.653484 (E_RNA)
where:
Base-Base interactions energy: -142.235
where: short stacking energy: -75.414
Base-Backbone interact. energy: -0.787
local terms energy: -73.630941
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -10.890
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -21.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -83.904078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.904078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.904078 (E_RNA)
where:
Base-Base interactions energy: -34.529
where: short stacking energy: -31.370
Base-Backbone interact. energy: -0.049
local terms energy: -49.325782
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -12.546
flat angles P-C4'-P energy: -4.855
tors. eta vs tors. theta energy: -5.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -98.357823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.357823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.357823 (E_RNA)
where:
Base-Base interactions energy: -51.858
where: short stacking energy: -27.857
Base-Backbone interact. energy: -0.013
local terms energy: -46.486650
where:
bonds (distance) C4'-P energy: -10.011
bonds (distance) P-C4' energy: -11.398
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -5.541
tors. eta vs tors. theta energy: -5.637
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: 1
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -90.811220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.811220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.811220 (E_RNA)
where:
Base-Base interactions energy: -34.912
where: short stacking energy: -34.912
Base-Backbone interact. energy: -0.041
local terms energy: -55.858375
where:
bonds (distance) C4'-P energy: -16.335
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -10.893
flat angles P-C4'-P energy: -7.780
tors. eta vs tors. theta energy: -6.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -84.183888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.183888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.183888 (E_RNA)
where:
Base-Base interactions energy: -35.047
where: short stacking energy: -21.985
Base-Backbone interact. energy: -0.107
local terms energy: -49.029762
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -13.206
flat angles C4'-P-C4' energy: -10.246
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -2.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -233.376498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.376498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.376498 (E_RNA)
where:
Base-Base interactions energy: -155.201
where: short stacking energy: -76.299
Base-Backbone interact. energy: 0.638
local terms energy: -78.813821
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -21.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -221.388315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.388315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.388315 (E_RNA)
where:
Base-Base interactions energy: -153.806
where: short stacking energy: -77.470
Base-Backbone interact. energy: -0.927
local terms energy: -66.655216
where:
bonds (distance) C4'-P energy: -9.925
bonds (distance) P-C4' energy: -9.304
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: -21.003
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: 10
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -212.310734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.310734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.310734 (E_RNA)
where:
Base-Base interactions energy: -137.709
where: short stacking energy: -68.015
Base-Backbone interact. energy: -0.000
local terms energy: -74.601967
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -19.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -222.180932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.180932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.180932 (E_RNA)
where:
Base-Base interactions energy: -155.448
where: short stacking energy: -64.888
Base-Backbone interact. energy: -0.238
local terms energy: -66.494882
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: -15.744
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: 4
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -184.752906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.752906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.752906 (E_RNA)
where:
Base-Base interactions energy: -114.756
where: short stacking energy: -61.481
Base-Backbone interact. energy: -0.051
local terms energy: -69.945607
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -11.982
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -16.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -197.766320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.766320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.766320 (E_RNA)
where:
Base-Base interactions energy: -139.271
where: short stacking energy: -58.076
Base-Backbone interact. energy: -0.095
local terms energy: -58.400233
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -4.895
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -13.244
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: 9
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -84.515998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.515998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.515998 (E_RNA)
where:
Base-Base interactions energy: -26.468
where: short stacking energy: -21.343
Base-Backbone interact. energy: -0.820
local terms energy: -57.227278
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -14.736
flat angles C4'-P-C4' energy: -18.320
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -1.607
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: 1
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -94.614591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.614591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.614591 (E_RNA)
where:
Base-Base interactions energy: -41.372
where: short stacking energy: -41.372
Base-Backbone interact. energy: -0.039
local terms energy: -53.202894
where:
bonds (distance) C4'-P energy: -9.329
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -11.125
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -8.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -94.366201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.366201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.366201 (E_RNA)
where:
Base-Base interactions energy: -46.997
where: short stacking energy: -34.970
Base-Backbone interact. energy: -0.090
local terms energy: -47.279700
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -5.950
tors. eta vs tors. theta energy: -1.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -78.142492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.142492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.142492 (E_RNA)
where:
Base-Base interactions energy: -36.005
where: short stacking energy: -31.414
Base-Backbone interact. energy: -0.156
local terms energy: -41.982130
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -6.212
flat angles C4'-P-C4' energy: -9.671
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -2.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -222.258574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.258574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.258574 (E_RNA)
where:
Base-Base interactions energy: -143.324
where: short stacking energy: -72.701
Base-Backbone interact. energy: -0.069
local terms energy: -78.865201
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -14.348
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -13.251
tors. eta vs tors. theta energy: -20.408
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: 2
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -232.111296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.111296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.111296 (E_RNA)
where:
Base-Base interactions energy: -148.656
where: short stacking energy: -72.673
Base-Backbone interact. energy: -0.008
local terms energy: -83.447252
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -13.222
tors. eta vs tors. theta energy: -24.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -227.876407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.876407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.876407 (E_RNA)
where:
Base-Base interactions energy: -146.135
where: short stacking energy: -76.547
Base-Backbone interact. energy: -1.380
local terms energy: -80.360805
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -14.947
tors. eta vs tors. theta energy: -23.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -213.574728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.574728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.574728 (E_RNA)
where:
Base-Base interactions energy: -141.342
where: short stacking energy: -71.409
Base-Backbone interact. energy: -0.281
local terms energy: -71.951641
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -16.737
flat angles P-C4'-P energy: -7.780
tors. eta vs tors. theta energy: -19.718
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: 152
Temperature: 1.100000
Total energy: -217.908174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.908174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.908174 (E_RNA)
where:
Base-Base interactions energy: -146.898
where: short stacking energy: -74.693
Base-Backbone interact. energy: -1.013
local terms energy: -69.997267
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -11.296
flat angles P-C4'-P energy: -13.108
tors. eta vs tors. theta energy: -16.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -173.800828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.800828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.800828 (E_RNA)
where:
Base-Base interactions energy: -113.722
where: short stacking energy: -55.579
Base-Backbone interact. energy: -0.103
local terms energy: -59.975810
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -10.672
flat angles C4'-P-C4' energy: -12.685
flat angles P-C4'-P energy: -7.760
tors. eta vs tors. theta energy: -13.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -102.008900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.008900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.008900 (E_RNA)
where:
Base-Base interactions energy: -48.841
where: short stacking energy: -28.086
Base-Backbone interact. energy: -1.089
local terms energy: -52.079085
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -12.083
tors. eta vs tors. theta energy: 0.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -92.660911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.660911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.660911 (E_RNA)
where:
Base-Base interactions energy: -38.053
where: short stacking energy: -36.435
Base-Backbone interact. energy: -0.090
local terms energy: -54.517586
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -3.473
tors. eta vs tors. theta energy: -5.784
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: 3
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -75.824404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.824404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.824404 (E_RNA)
where:
Base-Base interactions energy: -24.845
where: short stacking energy: -24.845
Base-Backbone interact. energy: -0.122
local terms energy: -50.857620
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -7.109
tors. eta vs tors. theta energy: -0.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -76.576159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.576159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.576159 (E_RNA)
where:
Base-Base interactions energy: -27.872
where: short stacking energy: -27.672
Base-Backbone interact. energy: -0.565
local terms energy: -48.138840
where:
bonds (distance) C4'-P energy: -8.854
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -11.577
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -3.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -223.105876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.105876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.105876 (E_RNA)
where:
Base-Base interactions energy: -144.680
where: short stacking energy: -70.434
Base-Backbone interact. energy: -0.091
local terms energy: -78.334277
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -24.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -225.987157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.987157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.987157 (E_RNA)
where:
Base-Base interactions energy: -143.679
where: short stacking energy: -71.139
Base-Backbone interact. energy: -0.078
local terms energy: -82.229673
where:
bonds (distance) C4'-P energy: -15.683
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -16.785
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -21.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -221.505607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.505607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.505607 (E_RNA)
where:
Base-Base interactions energy: -145.583
where: short stacking energy: -72.524
Base-Backbone interact. energy: -0.687
local terms energy: -75.235754
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -13.309
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -11.357
tors. eta vs tors. theta energy: -21.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -217.416432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.416432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.416432 (E_RNA)
where:
Base-Base interactions energy: -149.417
where: short stacking energy: -71.462
Base-Backbone interact. energy: -0.289
local terms energy: -67.709781
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -11.183
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -19.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -211.901302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.901302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.901302 (E_RNA)
where:
Base-Base interactions energy: -136.894
where: short stacking energy: -75.087
Base-Backbone interact. energy: -0.342
local terms energy: -74.665669
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -16.127
flat angles P-C4'-P energy: -12.542
tors. eta vs tors. theta energy: -18.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -189.105313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.105313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.105313 (E_RNA)
where:
Base-Base interactions energy: -116.630
where: short stacking energy: -68.512
Base-Backbone interact. energy: -0.035
local terms energy: -72.439652
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -20.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -89.665939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.665939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.665939 (E_RNA)
where:
Base-Base interactions energy: -41.872
where: short stacking energy: -26.826
Base-Backbone interact. energy: -0.004
local terms energy: -47.790627
where:
bonds (distance) C4'-P energy: -11.721
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -10.259
flat angles P-C4'-P energy: -5.473
tors. eta vs tors. theta energy: -3.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -78.848111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.848111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.848111 (E_RNA)
where:
Base-Base interactions energy: -27.943
where: short stacking energy: -20.721
Base-Backbone interact. energy: -0.198
local terms energy: -50.707339
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -12.207
flat angles C4'-P-C4' energy: -17.236
flat angles P-C4'-P energy: -6.201
tors. eta vs tors. theta energy: -2.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -70.913776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.913776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.913776 (E_RNA)
where:
Base-Base interactions energy: -22.144
where: short stacking energy: -18.834
Base-Backbone interact. energy: 0.347
local terms energy: -49.116666
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -12.096
flat angles P-C4'-P energy: -12.182
tors. eta vs tors. theta energy: 2.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -75.310234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.310234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.310234 (E_RNA)
where:
Base-Base interactions energy: -26.438
where: short stacking energy: -26.438
Base-Backbone interact. energy: -0.087
local terms energy: -48.785815
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -17.459
flat angles C4'-P-C4' energy: -8.916
flat angles P-C4'-P energy: -6.883
tors. eta vs tors. theta energy: -1.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -234.822170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.822170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.822170 (E_RNA)
where:
Base-Base interactions energy: -151.048
where: short stacking energy: -67.865
Base-Backbone interact. energy: -0.004
local terms energy: -83.770089
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -18.212
flat angles P-C4'-P energy: -12.711
tors. eta vs tors. theta energy: -21.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -228.412280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.412280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.412280 (E_RNA)
where:
Base-Base interactions energy: -150.826
where: short stacking energy: -74.115
Base-Backbone interact. energy: -0.005
local terms energy: -77.580486
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -22.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -210.675384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.675384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.675384 (E_RNA)
where:
Base-Base interactions energy: -146.946
where: short stacking energy: -65.892
Base-Backbone interact. energy: -0.156
local terms energy: -63.573888
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -15.485
flat angles C4'-P-C4' energy: -12.144
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -13.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -220.494047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.494047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.494047 (E_RNA)
where:
Base-Base interactions energy: -146.525
where: short stacking energy: -64.963
Base-Backbone interact. energy: -0.060
local terms energy: -73.908341
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -18.283
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: -17.905
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: 8
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -202.842489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.842489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.842489 (E_RNA)
where:
Base-Base interactions energy: -124.594
where: short stacking energy: -56.644
Base-Backbone interact. energy: -0.240
local terms energy: -78.008100
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -15.937
flat angles P-C4'-P energy: -10.660
tors. eta vs tors. theta energy: -19.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -174.824865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.824865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.824865 (E_RNA)
where:
Base-Base interactions energy: -111.017
where: short stacking energy: -51.517
Base-Backbone interact. energy: 2.254
local terms energy: -66.062164
where:
bonds (distance) C4'-P energy: -9.409
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -16.320
flat angles P-C4'-P energy: -11.243
tors. eta vs tors. theta energy: -14.520
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: 7, replica: 3
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -89.077602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.077602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.077602 (E_RNA)
where:
Base-Base interactions energy: -43.704
where: short stacking energy: -19.329
Base-Backbone interact. energy: -0.241
local terms energy: -45.132299
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -17.440
flat angles P-C4'-P energy: -1.186
tors. eta vs tors. theta energy: 0.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -87.845715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.845715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.845715 (E_RNA)
where:
Base-Base interactions energy: -28.113
where: short stacking energy: -28.113
Base-Backbone interact. energy: -0.312
local terms energy: -59.421027
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -10.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -78.752551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.752551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.752551 (E_RNA)
where:
Base-Base interactions energy: -35.685
where: short stacking energy: -31.212
Base-Backbone interact. energy: -0.370
local terms energy: -42.697182
where:
bonds (distance) C4'-P energy: -7.996
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -9.956
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: -1.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -77.665070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.665070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.665070 (E_RNA)
where:
Base-Base interactions energy: -30.963
where: short stacking energy: -30.963
Base-Backbone interact. energy: -0.092
local terms energy: -46.610154
where:
bonds (distance) C4'-P energy: -10.982
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -9.983
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: -0.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -232.338422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.338422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.338422 (E_RNA)
where:
Base-Base interactions energy: -153.874
where: short stacking energy: -75.790
Base-Backbone interact. energy: -0.042
local terms energy: -78.422451
where:
bonds (distance) C4'-P energy: -13.417
bonds (distance) P-C4' energy: -16.862
flat angles C4'-P-C4' energy: -13.326
flat angles P-C4'-P energy: -13.171
tors. eta vs tors. theta energy: -21.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -226.689236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.689236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.689236 (E_RNA)
where:
Base-Base interactions energy: -151.294
where: short stacking energy: -68.605
Base-Backbone interact. energy: -0.003
local terms energy: -75.392428
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -14.738
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -7.494
tors. eta vs tors. theta energy: -20.530
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: 10
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -212.226559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.226559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.226559 (E_RNA)
where:
Base-Base interactions energy: -140.463
where: short stacking energy: -63.464
Base-Backbone interact. energy: -0.139
local terms energy: -71.624385
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -14.841
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: 4, replica: 8
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -218.988830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.988830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.988830 (E_RNA)
where:
Base-Base interactions energy: -148.195
where: short stacking energy: -65.335
Base-Backbone interact. energy: -0.102
local terms energy: -70.691667
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -14.469
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -8.212
tors. eta vs tors. theta energy: -18.449
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: 6
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -218.341014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.341014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.341014 (E_RNA)
where:
Base-Base interactions energy: -150.233
where: short stacking energy: -67.687
Base-Backbone interact. energy: -0.388
local terms energy: -67.719903
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -15.003
flat angles P-C4'-P energy: -7.085
tors. eta vs tors. theta energy: -17.815
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: 3
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -93.061637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.061637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.061637 (E_RNA)
where:
Base-Base interactions energy: -37.738
where: short stacking energy: -24.378
Base-Backbone interact. energy: -0.826
local terms energy: -54.496950
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -8.321
tors. eta vs tors. theta energy: -2.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -156.269440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.269440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.269440 (E_RNA)
where:
Base-Base interactions energy: -95.570
where: short stacking energy: -51.316
Base-Backbone interact. energy: -0.005
local terms energy: -60.694252
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -8.166
tors. eta vs tors. theta energy: -10.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -98.950562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.950562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.950562 (E_RNA)
where:
Base-Base interactions energy: -49.398
where: short stacking energy: -32.518
Base-Backbone interact. energy: -0.136
local terms energy: -49.417187
where:
bonds (distance) C4'-P energy: -12.986
bonds (distance) P-C4' energy: -9.527
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -2.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -83.787560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.787560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.787560 (E_RNA)
where:
Base-Base interactions energy: -27.789
where: short stacking energy: -21.931
Base-Backbone interact. energy: -0.162
local terms energy: -55.835976
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: -3.599
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: 10, replica: 9
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -75.208972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.208972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.208972 (E_RNA)
where:
Base-Base interactions energy: -27.311
where: short stacking energy: -23.613
Base-Backbone interact. energy: -0.069
local terms energy: -47.829137
where:
bonds (distance) C4'-P energy: -12.715
bonds (distance) P-C4' energy: -10.909
flat angles C4'-P-C4' energy: -11.170
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -3.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -235.614495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.614495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.614495 (E_RNA)
where:
Base-Base interactions energy: -154.752
where: short stacking energy: -77.154
Base-Backbone interact. energy: -0.062
local terms energy: -80.800381
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: -22.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -226.715960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.715960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.715960 (E_RNA)
where:
Base-Base interactions energy: -151.285
where: short stacking energy: -75.538
Base-Backbone interact. energy: -0.588
local terms energy: -74.843191
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -11.344
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -12.985
tors. eta vs tors. theta energy: -21.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -222.943258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.943258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.943258 (E_RNA)
where:
Base-Base interactions energy: -141.829
where: short stacking energy: -67.719
Base-Backbone interact. energy: -0.821
local terms energy: -80.293364
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -8.441
tors. eta vs tors. theta energy: -21.971
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: 8
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -222.122042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.122042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.122042 (E_RNA)
where:
Base-Base interactions energy: -141.970
where: short stacking energy: -75.319
Base-Backbone interact. energy: -0.003
local terms energy: -80.148496
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -14.901
flat angles C4'-P-C4' energy: -17.825
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -23.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -209.041155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.041155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.041155 (E_RNA)
where:
Base-Base interactions energy: -134.848
where: short stacking energy: -61.327
Base-Backbone interact. energy: -0.555
local terms energy: -73.638200
where:
bonds (distance) C4'-P energy: -14.375
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -18.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -104.765363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.765363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.765363 (E_RNA)
where:
Base-Base interactions energy: -38.478
where: short stacking energy: -38.478
Base-Backbone interact. energy: -0.008
local terms energy: -66.279586
where:
bonds (distance) C4'-P energy: -16.827
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -17.568
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -5.856
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: 4
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -173.753527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.753527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.753527 (E_RNA)
where:
Base-Base interactions energy: -113.924
where: short stacking energy: -59.126
Base-Backbone interact. energy: -0.139
local terms energy: -59.690587
where:
bonds (distance) C4'-P energy: -10.092
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -12.172
flat angles P-C4'-P energy: -6.487
tors. eta vs tors. theta energy: -15.612
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: 1
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -99.527408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.527408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.527408 (E_RNA)
where:
Base-Base interactions energy: -44.882
where: short stacking energy: -32.345
Base-Backbone interact. energy: -0.038
local terms energy: -54.606696
where:
bonds (distance) C4'-P energy: -14.154
bonds (distance) P-C4' energy: -10.789
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -7.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -81.593138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.593138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.593138 (E_RNA)
where:
Base-Base interactions energy: -32.671
where: short stacking energy: -32.671
Base-Backbone interact. energy: -0.521
local terms energy: -48.401196
where:
bonds (distance) C4'-P energy: -2.189
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -11.622
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: -8.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -83.562585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.562585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.562585 (E_RNA)
where:
Base-Base interactions energy: -31.622
where: short stacking energy: -31.622
Base-Backbone interact. energy: 1.203
local terms energy: -53.143832
where:
bonds (distance) C4'-P energy: -12.684
bonds (distance) P-C4' energy: -15.848
flat angles C4'-P-C4' energy: -11.512
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -4.757
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: 1, replica: 7
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -228.365471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.365471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.365471 (E_RNA)
where:
Base-Base interactions energy: -149.753
where: short stacking energy: -76.867
Base-Backbone interact. energy: -0.003
local terms energy: -78.610107
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -17.127
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -21.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -219.835891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.835891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.835891 (E_RNA)
where:
Base-Base interactions energy: -139.124
where: short stacking energy: -69.598
Base-Backbone interact. energy: -0.009
local terms energy: -80.703691
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -16.462
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -15.056
tors. eta vs tors. theta energy: -18.240
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: 3, replica: 2
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -222.174737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.174737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.174737 (E_RNA)
where:
Base-Base interactions energy: -148.030
where: short stacking energy: -74.316
Base-Backbone interact. energy: -0.000
local terms energy: -74.144148
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -8.188
tors. eta vs tors. theta energy: -21.344
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: 8
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -216.489067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.489067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.489067 (E_RNA)
where:
Base-Base interactions energy: -146.130
where: short stacking energy: -70.580
Base-Backbone interact. energy: -0.150
local terms energy: -70.208397
where:
bonds (distance) C4'-P energy: -9.622
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -20.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -208.716757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.716757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.716757 (E_RNA)
where:
Base-Base interactions energy: -135.832
where: short stacking energy: -65.877
Base-Backbone interact. energy: -0.979
local terms energy: -71.905669
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -10.775
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: -19.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -180.676172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.676172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.676172 (E_RNA)
where:
Base-Base interactions energy: -115.698
where: short stacking energy: -68.224
Base-Backbone interact. energy: -0.242
local terms energy: -64.736872
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -5.872
tors. eta vs tors. theta energy: -17.785
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: 157
Temperature: 1.200000
Total energy: -85.117667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.117667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.117667 (E_RNA)
where:
Base-Base interactions energy: -29.302
where: short stacking energy: -29.302
Base-Backbone interact. energy: -0.030
local terms energy: -55.785738
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -14.132
flat angles P-C4'-P energy: -7.386
tors. eta vs tors. theta energy: -3.145
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: 9
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -96.552151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.552151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.552151 (E_RNA)
where:
Base-Base interactions energy: -40.295
where: short stacking energy: -39.859
Base-Backbone interact. energy: -0.108
local terms energy: -56.148990
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -11.091
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: -9.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -93.442752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.442752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.442752 (E_RNA)
where:
Base-Base interactions energy: -34.141
where: short stacking energy: -34.141
Base-Backbone interact. energy: 0.552
local terms energy: -59.853679
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -6.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -83.590802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.590802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.590802 (E_RNA)
where:
Base-Base interactions energy: -33.651
where: short stacking energy: -33.651
Base-Backbone interact. energy: -0.217
local terms energy: -49.722660
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -11.882
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -1.628
tors. eta vs tors. theta energy: -9.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -225.233775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.233775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.233775 (E_RNA)
where:
Base-Base interactions energy: -148.081
where: short stacking energy: -70.932
Base-Backbone interact. energy: -0.249
local terms energy: -76.903410
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -15.746
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -20.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -217.120465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.120465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.120465 (E_RNA)
where:
Base-Base interactions energy: -141.446
where: short stacking energy: -62.264
Base-Backbone interact. energy: -0.240
local terms energy: -75.435112
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -19.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -226.549441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.549441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.549441 (E_RNA)
where:
Base-Base interactions energy: -149.262
where: short stacking energy: -78.600
Base-Backbone interact. energy: -0.021
local terms energy: -77.265896
where:
bonds (distance) C4'-P energy: -12.220
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -17.799
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -22.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -211.727854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.727854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.727854 (E_RNA)
where:
Base-Base interactions energy: -143.770
where: short stacking energy: -69.317
Base-Backbone interact. energy: -0.006
local terms energy: -67.952192
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -10.203
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -11.275
tors. eta vs tors. theta energy: -18.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -175.631876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.631876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.631876 (E_RNA)
where:
Base-Base interactions energy: -112.288
where: short stacking energy: -60.435
Base-Backbone interact. energy: -0.690
local terms energy: -62.653567
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -11.179
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -12.150
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: 6
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -209.022791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.022791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.022791 (E_RNA)
where:
Base-Base interactions energy: -138.720
where: short stacking energy: -59.139
Base-Backbone interact. energy: -0.191
local terms energy: -70.112668
where:
bonds (distance) C4'-P energy: -11.411
bonds (distance) P-C4' energy: -14.161
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -10.927
tors. eta vs tors. theta energy: -18.026
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: 9
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -94.374702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.374702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.374702 (E_RNA)
where:
Base-Base interactions energy: -33.395
where: short stacking energy: -27.749
Base-Backbone interact. energy: -0.119
local terms energy: -60.861011
where:
bonds (distance) C4'-P energy: -14.904
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -11.312
flat angles P-C4'-P energy: -8.746
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: 8, replica: 3
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -79.675278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.675278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.675278 (E_RNA)
where:
Base-Base interactions energy: -23.888
where: short stacking energy: -23.888
Base-Backbone interact. energy: -0.142
local terms energy: -55.645666
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -14.072
flat angles C4'-P-C4' energy: -12.735
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -2.047
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: 9, replica: 1
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -91.592290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.592290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.592290 (E_RNA)
where:
Base-Base interactions energy: -32.454
where: short stacking energy: -28.321
Base-Backbone interact. energy: -1.409
local terms energy: -57.728958
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -5.475
tors. eta vs tors. theta energy: -6.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -74.278081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.278081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.278081 (E_RNA)
where:
Base-Base interactions energy: -28.040
where: short stacking energy: -28.040
Base-Backbone interact. energy: 0.410
local terms energy: -46.648010
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -6.226
flat angles P-C4'-P energy: -7.131
tors. eta vs tors. theta energy: -6.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -225.151633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.151633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.151633 (E_RNA)
where:
Base-Base interactions energy: -151.590
where: short stacking energy: -74.577
Base-Backbone interact. energy: -1.407
local terms energy: -72.154888
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -12.496
flat angles C4'-P-C4' energy: -18.625
flat angles P-C4'-P energy: -8.575
tors. eta vs tors. theta energy: -19.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -228.523183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.523183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.523183 (E_RNA)
where:
Base-Base interactions energy: -145.023
where: short stacking energy: -75.908
Base-Backbone interact. energy: -0.416
local terms energy: -83.084088
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -15.951
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -14.179
tors. eta vs tors. theta energy: -20.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -213.914650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.914650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.914650 (E_RNA)
where:
Base-Base interactions energy: -139.529
where: short stacking energy: -69.222
Base-Backbone interact. energy: -0.061
local terms energy: -74.324158
where:
bonds (distance) C4'-P energy: -14.890
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -17.700
flat angles P-C4'-P energy: -10.227
tors. eta vs tors. theta energy: -15.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -224.966626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.966626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.966626 (E_RNA)
where:
Base-Base interactions energy: -139.247
where: short stacking energy: -69.132
Base-Backbone interact. energy: -0.339
local terms energy: -85.380906
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -14.417
tors. eta vs tors. theta energy: -22.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -169.365375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.365375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.365375 (E_RNA)
where:
Base-Base interactions energy: -111.899
where: short stacking energy: -55.142
Base-Backbone interact. energy: -0.863
local terms energy: -56.603346
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -9.952
flat angles C4'-P-C4' energy: -12.281
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -12.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -201.221806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.221806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.221806 (E_RNA)
where:
Base-Base interactions energy: -134.598
where: short stacking energy: -61.834
Base-Backbone interact. energy: -0.064
local terms energy: -66.559556
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -10.198
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -5.303
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: 7, replica: 9
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -102.173429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.173429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.173429 (E_RNA)
where:
Base-Base interactions energy: -40.931
where: short stacking energy: -38.701
Base-Backbone interact. energy: -0.019
local terms energy: -61.223463
where:
bonds (distance) C4'-P energy: -11.837
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -8.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -83.037731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.037731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.037731 (E_RNA)
where:
Base-Base interactions energy: -26.726
where: short stacking energy: -24.387
Base-Backbone interact. energy: -0.166
local terms energy: -56.145794
where:
bonds (distance) C4'-P energy: -17.030
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -5.977
tors. eta vs tors. theta energy: -4.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -88.696347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.696347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.696347 (E_RNA)
where:
Base-Base interactions energy: -35.551
where: short stacking energy: -32.979
Base-Backbone interact. energy: -0.241
local terms energy: -52.903590
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -10.337
flat angles P-C4'-P energy: -6.057
tors. eta vs tors. theta energy: -9.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -77.852956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.852956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.852956 (E_RNA)
where:
Base-Base interactions energy: -29.646
where: short stacking energy: -29.646
Base-Backbone interact. energy: -0.216
local terms energy: -47.991332
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -10.530
flat angles C4'-P-C4' energy: -10.636
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: -2.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -237.524093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.524093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.524093 (E_RNA)
where:
Base-Base interactions energy: -152.480
where: short stacking energy: -70.049
Base-Backbone interact. energy: -0.690
local terms energy: -84.354495
where:
bonds (distance) C4'-P energy: -16.519
bonds (distance) P-C4' energy: -17.193
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -13.677
tors. eta vs tors. theta energy: -21.595
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: 160
Temperature: 0.950000
Total energy: -220.222431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.222431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.222431 (E_RNA)
where:
Base-Base interactions energy: -146.991
where: short stacking energy: -70.083
Base-Backbone interact. energy: -0.281
local terms energy: -72.950788
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -12.038
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: -19.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -220.546557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.546557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.546557 (E_RNA)
where:
Base-Base interactions energy: -140.595
where: short stacking energy: -78.406
Base-Backbone interact. energy: -0.480
local terms energy: -79.471937
where:
bonds (distance) C4'-P energy: -11.848
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -17.657
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -21.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -204.479195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.479195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.479195 (E_RNA)
where:
Base-Base interactions energy: -135.689
where: short stacking energy: -63.657
Base-Backbone interact. energy: -0.010
local terms energy: -68.780517
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -13.910
flat angles C4'-P-C4' energy: -11.165
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -17.364
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: 5, replica: 6
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -213.945148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.945148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.945148 (E_RNA)
where:
Base-Base interactions energy: -149.983
where: short stacking energy: -61.265
Base-Backbone interact. energy: -1.421
local terms energy: -62.541166
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -8.401
tors. eta vs tors. theta energy: -13.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -196.411372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.411372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.411372 (E_RNA)
where:
Base-Base interactions energy: -126.432
where: short stacking energy: -62.353
Base-Backbone interact. energy: -0.178
local terms energy: -69.801162
where:
bonds (distance) C4'-P energy: -9.756
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -13.015
flat angles P-C4'-P energy: -13.802
tors. eta vs tors. theta energy: -16.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -86.425666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.425666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.425666 (E_RNA)
where:
Base-Base interactions energy: -31.915
where: short stacking energy: -27.895
Base-Backbone interact. energy: -0.040
local terms energy: -54.470276
where:
bonds (distance) C4'-P energy: -7.097
bonds (distance) P-C4' energy: -16.273
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -6.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -89.247873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.247873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.247873 (E_RNA)
where:
Base-Base interactions energy: -37.026
where: short stacking energy: -35.489
Base-Backbone interact. energy: -0.014
local terms energy: -52.207904
where:
bonds (distance) C4'-P energy: -12.883
bonds (distance) P-C4' energy: -12.070
flat angles C4'-P-C4' energy: -4.440
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -13.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -79.383708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.383708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.383708 (E_RNA)
where:
Base-Base interactions energy: -28.429
where: short stacking energy: -22.541
Base-Backbone interact. energy: -0.168
local terms energy: -50.786014
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -8.039
flat angles P-C4'-P energy: -13.089
tors. eta vs tors. theta energy: -2.451
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: 1
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -71.686893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.686893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.686893 (E_RNA)
where:
Base-Base interactions energy: -22.601
where: short stacking energy: -22.034
Base-Backbone interact. energy: -0.485
local terms energy: -48.601161
where:
bonds (distance) C4'-P energy: -11.609
bonds (distance) P-C4' energy: -11.777
flat angles C4'-P-C4' energy: -16.504
flat angles P-C4'-P energy: -7.416
tors. eta vs tors. theta energy: -1.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -232.506038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.506038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.506038 (E_RNA)
where:
Base-Base interactions energy: -152.017
where: short stacking energy: -76.944
Base-Backbone interact. energy: -1.323
local terms energy: -79.165285
where:
bonds (distance) C4'-P energy: -13.715
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -16.936
flat angles P-C4'-P energy: -14.284
tors. eta vs tors. theta energy: -20.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -217.919551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.919551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.919551 (E_RNA)
where:
Base-Base interactions energy: -143.768
where: short stacking energy: -68.929
Base-Backbone interact. energy: -0.103
local terms energy: -74.048730
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -7.866
tors. eta vs tors. theta energy: -18.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -219.931112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.931112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.931112 (E_RNA)
where:
Base-Base interactions energy: -144.161
where: short stacking energy: -72.615
Base-Backbone interact. energy: -1.987
local terms energy: -73.783335
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -12.139
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -7.886
tors. eta vs tors. theta energy: -21.318
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: 6
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -217.071302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.071302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.071302 (E_RNA)
where:
Base-Base interactions energy: -141.242
where: short stacking energy: -64.444
Base-Backbone interact. energy: -0.082
local terms energy: -75.747495
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: -7.900
tors. eta vs tors. theta energy: -20.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -210.812257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.812257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.812257 (E_RNA)
where:
Base-Base interactions energy: -136.825
where: short stacking energy: -71.707
Base-Backbone interact. energy: -0.041
local terms energy: -73.946327
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -16.661
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -22.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -154.681074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.681074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.681074 (E_RNA)
where:
Base-Base interactions energy: -103.451
where: short stacking energy: -51.570
Base-Backbone interact. energy: -0.227
local terms energy: -51.003050
where:
bonds (distance) C4'-P energy: -9.022
bonds (distance) P-C4' energy: -12.483
flat angles C4'-P-C4' energy: -11.422
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -9.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -97.079685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.079685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.079685 (E_RNA)
where:
Base-Base interactions energy: -37.271
where: short stacking energy: -26.760
Base-Backbone interact. energy: -0.196
local terms energy: -59.613205
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -11.347
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -6.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -87.367578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.367578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.367578 (E_RNA)
where:
Base-Base interactions energy: -37.222
where: short stacking energy: -27.311
Base-Backbone interact. energy: 0.145
local terms energy: -50.290332
where:
bonds (distance) C4'-P energy: -12.337
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -13.122
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -1.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -73.656385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.656385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.656385 (E_RNA)
where:
Base-Base interactions energy: -24.351
where: short stacking energy: -20.707
Base-Backbone interact. energy: -0.965
local terms energy: -48.339827
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -12.702
flat angles C4'-P-C4' energy: -13.336
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: 1.108
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: 10, replica: 1
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -76.262475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.262475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.262475 (E_RNA)
where:
Base-Base interactions energy: -26.379
where: short stacking energy: -24.285
Base-Backbone interact. energy: -0.047
local terms energy: -49.836408
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -10.090
flat angles P-C4'-P energy: -7.852
tors. eta vs tors. theta energy: -4.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -235.213671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.213671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.213671 (E_RNA)
where:
Base-Base interactions energy: -159.110
where: short stacking energy: -73.619
Base-Backbone interact. energy: -0.734
local terms energy: -75.369717
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -12.761
tors. eta vs tors. theta energy: -19.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -229.100429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.100429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.100429 (E_RNA)
where:
Base-Base interactions energy: -146.501
where: short stacking energy: -70.792
Base-Backbone interact. energy: -0.085
local terms energy: -82.514553
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -13.792
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -13.264
tors. eta vs tors. theta energy: -21.534
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: 2
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -218.315643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.315643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.315643 (E_RNA)
where:
Base-Base interactions energy: -148.420
where: short stacking energy: -76.609
Base-Backbone interact. energy: -0.472
local terms energy: -69.423519
where:
bonds (distance) C4'-P energy: -9.812
bonds (distance) P-C4' energy: -13.124
flat angles C4'-P-C4' energy: -13.031
flat angles P-C4'-P energy: -11.589
tors. eta vs tors. theta energy: -21.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -220.491091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.491091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.491091 (E_RNA)
where:
Base-Base interactions energy: -147.959
where: short stacking energy: -68.905
Base-Backbone interact. energy: -0.093
local terms energy: -72.439824
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -20.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -216.531640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.531640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.531640 (E_RNA)
where:
Base-Base interactions energy: -148.581
where: short stacking energy: -75.797
Base-Backbone interact. energy: -0.561
local terms energy: -67.389893
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -14.153
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -5.558
tors. eta vs tors. theta energy: -20.573
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: 4
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -148.156119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.156119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.156119 (E_RNA)
where:
Base-Base interactions energy: -86.268
where: short stacking energy: -44.187
Base-Backbone interact. energy: -0.701
local terms energy: -61.186902
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -7.060
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -14.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -83.562976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.562976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.562976 (E_RNA)
where:
Base-Base interactions energy: -36.320
where: short stacking energy: -25.652
Base-Backbone interact. energy: -0.358
local terms energy: -46.885084
where:
bonds (distance) C4'-P energy: -14.882
bonds (distance) P-C4' energy: -16.302
flat angles C4'-P-C4' energy: -10.802
flat angles P-C4'-P energy: -7.450
tors. eta vs tors. theta energy: 2.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -95.165045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.165045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.165045 (E_RNA)
where:
Base-Base interactions energy: -45.542
where: short stacking energy: -34.959
Base-Backbone interact. energy: -0.055
local terms energy: -49.567725
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -12.399
flat angles C4'-P-C4' energy: -11.113
flat angles P-C4'-P energy: -6.814
tors. eta vs tors. theta energy: -5.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -89.220360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.220360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.220360 (E_RNA)
where:
Base-Base interactions energy: -34.982
where: short stacking energy: -34.630
Base-Backbone interact. energy: 0.473
local terms energy: -54.710863
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -11.794
flat angles C4'-P-C4' energy: -10.865
flat angles P-C4'-P energy: -6.201
tors. eta vs tors. theta energy: -11.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -85.034551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.034551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.034551 (E_RNA)
where:
Base-Base interactions energy: -45.910
where: short stacking energy: -26.450
Base-Backbone interact. energy: -0.172
local terms energy: -38.952251
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -11.160
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -0.909
tors. eta vs tors. theta energy: -0.971
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: 1, replica: 10
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -231.939148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.939148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.939148 (E_RNA)
where:
Base-Base interactions energy: -155.023
where: short stacking energy: -71.398
Base-Backbone interact. energy: -0.000
local terms energy: -76.915763
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -19.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -225.560148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.560148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.560148 (E_RNA)
where:
Base-Base interactions energy: -148.662
where: short stacking energy: -71.602
Base-Backbone interact. energy: -0.001
local terms energy: -76.897750
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -11.735
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -12.106
tors. eta vs tors. theta energy: -20.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -225.421342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.421342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.421342 (E_RNA)
where:
Base-Base interactions energy: -146.834
where: short stacking energy: -63.929
Base-Backbone interact. energy: -0.505
local terms energy: -78.082151
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -19.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -225.847793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.847793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.847793 (E_RNA)
where:
Base-Base interactions energy: -149.366
where: short stacking energy: -74.814
Base-Backbone interact. energy: -0.010
local terms energy: -76.472121
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -11.360
tors. eta vs tors. theta energy: -21.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -208.498436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.498436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.498436 (E_RNA)
where:
Base-Base interactions energy: -133.444
where: short stacking energy: -59.324
Base-Backbone interact. energy: -0.361
local terms energy: -74.692759
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -17.520
flat angles P-C4'-P energy: -12.827
tors. eta vs tors. theta energy: -17.441
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: 5
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -85.733813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.733813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.733813 (E_RNA)
where:
Base-Base interactions energy: -30.032
where: short stacking energy: -26.352
Base-Backbone interact. energy: -0.099
local terms energy: -55.603189
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -6.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -161.711975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.711975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.711975 (E_RNA)
where:
Base-Base interactions energy: -100.141
where: short stacking energy: -42.551
Base-Backbone interact. energy: -0.011
local terms energy: -61.560614
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -8.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -98.146198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.146198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.146198 (E_RNA)
where:
Base-Base interactions energy: -39.333
where: short stacking energy: -17.887
Base-Backbone interact. energy: 0.763
local terms energy: -59.576695
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -11.959
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -5.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -80.509121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.509121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.509121 (E_RNA)
where:
Base-Base interactions energy: -38.409
where: short stacking energy: -25.143
Base-Backbone interact. energy: -0.163
local terms energy: -41.936388
where:
bonds (distance) C4'-P energy: -9.688
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -12.330
flat angles P-C4'-P energy: -6.619
tors. eta vs tors. theta energy: 2.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -81.122004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.122004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.122004 (E_RNA)
where:
Base-Base interactions energy: -27.402
where: short stacking energy: -27.402
Base-Backbone interact. energy: -0.018
local terms energy: -53.701902
where:
bonds (distance) C4'-P energy: -10.074
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -8.470
tors. eta vs tors. theta energy: -2.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -232.435996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.435996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.435996 (E_RNA)
where:
Base-Base interactions energy: -150.075
where: short stacking energy: -70.251
Base-Backbone interact. energy: -0.486
local terms energy: -81.875140
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -18.091
flat angles P-C4'-P energy: -13.325
tors. eta vs tors. theta energy: -19.505
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: 2
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -229.758456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.758456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.758456 (E_RNA)
where:
Base-Base interactions energy: -144.832
where: short stacking energy: -68.423
Base-Backbone interact. energy: -0.067
local terms energy: -84.859775
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -15.290
tors. eta vs tors. theta energy: -21.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -223.648153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.648153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.648153 (E_RNA)
where:
Base-Base interactions energy: -150.168
where: short stacking energy: -77.149
Base-Backbone interact. energy: -0.281
local terms energy: -73.199014
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -9.840
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -20.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -218.067282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.067282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.067282 (E_RNA)
where:
Base-Base interactions energy: -145.111
where: short stacking energy: -68.393
Base-Backbone interact. energy: -0.011
local terms energy: -72.945677
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -17.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -217.370465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.370465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.370465 (E_RNA)
where:
Base-Base interactions energy: -140.055
where: short stacking energy: -71.508
Base-Backbone interact. energy: -0.007
local terms energy: -77.308151
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -13.513
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -22.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -96.436872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.436872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.436872 (E_RNA)
where:
Base-Base interactions energy: -35.886
where: short stacking energy: -35.886
Base-Backbone interact. energy: -0.431
local terms energy: -60.119682
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -12.298
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: -11.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -165.133853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.133853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.133853 (E_RNA)
where:
Base-Base interactions energy: -98.229
where: short stacking energy: -47.088
Base-Backbone interact. energy: -0.007
local terms energy: -66.898312
where:
bonds (distance) C4'-P energy: -10.795
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -17.037
flat angles P-C4'-P energy: -11.564
tors. eta vs tors. theta energy: -11.577
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: 8, replica: 1
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -81.935105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.935105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.935105 (E_RNA)
where:
Base-Base interactions energy: -32.195
where: short stacking energy: -32.195
Base-Backbone interact. energy: 0.277
local terms energy: -50.016691
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -13.829
flat angles C4'-P-C4' energy: -11.773
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -2.957
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: 164
Temperature: 1.300000
Total energy: -90.738632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.738632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.738632 (E_RNA)
where:
Base-Base interactions energy: -33.869
where: short stacking energy: -32.253
Base-Backbone interact. energy: -1.341
local terms energy: -55.528630
where:
bonds (distance) C4'-P energy: -13.571
bonds (distance) P-C4' energy: -15.382
flat angles C4'-P-C4' energy: -11.559
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -4.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -75.360796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.360796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.360796 (E_RNA)
where:
Base-Base interactions energy: -29.550
where: short stacking energy: -29.550
Base-Backbone interact. energy: -0.031
local terms energy: -45.780020
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -9.206
flat angles P-C4'-P energy: -3.845
tors. eta vs tors. theta energy: -2.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -224.290807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.290807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.290807 (E_RNA)
where:
Base-Base interactions energy: -150.093
where: short stacking energy: -75.086
Base-Backbone interact. energy: -0.011
local terms energy: -74.187629
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -12.116
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: 2, replica: 2
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -221.395749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.395749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.395749 (E_RNA)
where:
Base-Base interactions energy: -145.552
where: short stacking energy: -65.260
Base-Backbone interact. energy: -0.112
local terms energy: -75.732217
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -12.423
flat angles P-C4'-P energy: -12.816
tors. eta vs tors. theta energy: -18.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -219.697483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.697483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.697483 (E_RNA)
where:
Base-Base interactions energy: -148.962
where: short stacking energy: -63.457
Base-Backbone interact. energy: -0.363
local terms energy: -70.372435
where:
bonds (distance) C4'-P energy: -11.624
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -11.968
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -20.807
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: 8
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -221.884160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.884160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.884160 (E_RNA)
where:
Base-Base interactions energy: -145.985
where: short stacking energy: -66.687
Base-Backbone interact. energy: 0.330
local terms energy: -76.229237
where:
bonds (distance) C4'-P energy: -11.870
bonds (distance) P-C4' energy: -12.660
flat angles C4'-P-C4' energy: -16.316
flat angles P-C4'-P energy: -14.106
tors. eta vs tors. theta energy: -21.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -211.460075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.460075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.460075 (E_RNA)
where:
Base-Base interactions energy: -135.643
where: short stacking energy: -69.472
Base-Backbone interact. energy: -0.468
local terms energy: -75.348612
where:
bonds (distance) C4'-P energy: -15.155
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -10.648
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: 6, replica: 4
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -193.055027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.055027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.055027 (E_RNA)
where:
Base-Base interactions energy: -127.751
where: short stacking energy: -54.665
Base-Backbone interact. energy: -0.171
local terms energy: -65.133194
where:
bonds (distance) C4'-P energy: -12.653
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -15.773
flat angles P-C4'-P energy: -7.820
tors. eta vs tors. theta energy: -12.302
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: 5
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -88.771074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.771074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.771074 (E_RNA)
where:
Base-Base interactions energy: -35.323
where: short stacking energy: -33.492
Base-Backbone interact. energy: -0.063
local terms energy: -53.385961
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -10.459
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: -6.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -86.275623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.275623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.275623 (E_RNA)
where:
Base-Base interactions energy: -29.561
where: short stacking energy: -27.183
Base-Backbone interact. energy: -1.089
local terms energy: -55.625649
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -10.876
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -6.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -86.184115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.184115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.184115 (E_RNA)
where:
Base-Base interactions energy: -38.729
where: short stacking energy: -25.936
Base-Backbone interact. energy: -0.138
local terms energy: -47.316849
where:
bonds (distance) C4'-P energy: -10.480
bonds (distance) P-C4' energy: -14.280
flat angles C4'-P-C4' energy: -12.539
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -1.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -81.624606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.624606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.624606 (E_RNA)
where:
Base-Base interactions energy: -28.956
where: short stacking energy: -28.956
Base-Backbone interact. energy: -0.057
local terms energy: -52.610923
where:
bonds (distance) C4'-P energy: -9.241
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -5.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -231.179961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.179961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.179961 (E_RNA)
where:
Base-Base interactions energy: -151.498
where: short stacking energy: -68.866
Base-Backbone interact. energy: -0.100
local terms energy: -79.582415
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -17.333
flat angles P-C4'-P energy: -13.314
tors. eta vs tors. theta energy: -17.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -233.061755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.061755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.061755 (E_RNA)
where:
Base-Base interactions energy: -151.256
where: short stacking energy: -70.398
Base-Backbone interact. energy: -0.947
local terms energy: -80.859337
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -17.212
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -21.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -222.674001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.674001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.674001 (E_RNA)
where:
Base-Base interactions energy: -154.825
where: short stacking energy: -67.531
Base-Backbone interact. energy: -0.064
local terms energy: -67.785224
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -6.360
tors. eta vs tors. theta energy: -16.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -212.377616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.377616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.377616 (E_RNA)
where:
Base-Base interactions energy: -136.961
where: short stacking energy: -61.808
Base-Backbone interact. energy: -0.002
local terms energy: -75.413994
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -11.398
tors. eta vs tors. theta energy: -17.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -194.398308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.398308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.398308 (E_RNA)
where:
Base-Base interactions energy: -128.420
where: short stacking energy: -60.267
Base-Backbone interact. energy: -0.881
local terms energy: -65.096759
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -13.101
flat angles C4'-P-C4' energy: -13.854
flat angles P-C4'-P energy: -8.767
tors. eta vs tors. theta energy: -16.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -179.870738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.870738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.870738 (E_RNA)
where:
Base-Base interactions energy: -127.322
where: short stacking energy: -49.416
Base-Backbone interact. energy: 0.139
local terms energy: -52.688331
where:
bonds (distance) C4'-P energy: -9.168
bonds (distance) P-C4' energy: -9.996
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -7.299
tors. eta vs tors. theta energy: -10.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -97.106239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.106239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.106239 (E_RNA)
where:
Base-Base interactions energy: -41.461
where: short stacking energy: -40.556
Base-Backbone interact. energy: -0.221
local terms energy: -55.424291
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -7.537
tors. eta vs tors. theta energy: -4.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -85.277198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.277198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.277198 (E_RNA)
where:
Base-Base interactions energy: -28.818
where: short stacking energy: -28.818
Base-Backbone interact. energy: -0.198
local terms energy: -56.261455
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -17.406
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -8.137
tors. eta vs tors. theta energy: -1.485
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: 9, replica: 3
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -81.870751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.870751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.870751 (E_RNA)
where:
Base-Base interactions energy: -21.748
where: short stacking energy: -19.820
Base-Backbone interact. energy: -0.092
local terms energy: -60.029978
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -2.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -86.142433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.142433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.142433 (E_RNA)
where:
Base-Base interactions energy: -36.569
where: short stacking energy: -34.805
Base-Backbone interact. energy: -0.560
local terms energy: -49.012938
where:
bonds (distance) C4'-P energy: -5.640
bonds (distance) P-C4' energy: -9.361
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -9.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -232.805954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.805954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.805954 (E_RNA)
where:
Base-Base interactions energy: -156.949
where: short stacking energy: -74.477
Base-Backbone interact. energy: 0.777
local terms energy: -76.633944
where:
bonds (distance) C4'-P energy: -13.073
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -20.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -219.742021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.742021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.742021 (E_RNA)
where:
Base-Base interactions energy: -145.447
where: short stacking energy: -70.254
Base-Backbone interact. energy: -0.034
local terms energy: -74.261897
where:
bonds (distance) C4'-P energy: -16.062
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -12.925
tors. eta vs tors. theta energy: -17.267
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: 10
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -229.140960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.140960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.140960 (E_RNA)
where:
Base-Base interactions energy: -146.280
where: short stacking energy: -69.778
Base-Backbone interact. energy: -1.332
local terms energy: -81.528599
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -11.537
tors. eta vs tors. theta energy: -20.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -219.974102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.974102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.974102 (E_RNA)
where:
Base-Base interactions energy: -142.526
where: short stacking energy: -74.702
Base-Backbone interact. energy: -1.174
local terms energy: -76.273936
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -17.106
flat angles P-C4'-P energy: -12.497
tors. eta vs tors. theta energy: -20.857
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: 167
Temperature: 1.100000
Total energy: -195.656690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.656690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.656690 (E_RNA)
where:
Base-Base interactions energy: -125.939
where: short stacking energy: -58.367
Base-Backbone interact. energy: -0.804
local terms energy: -68.913393
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -11.831
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -18.113
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: 4
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -187.365732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.365732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.365732 (E_RNA)
where:
Base-Base interactions energy: -115.439
where: short stacking energy: -63.320
Base-Backbone interact. energy: -0.030
local terms energy: -71.897142
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -20.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -96.531690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.531690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.531690 (E_RNA)
where:
Base-Base interactions energy: -35.385
where: short stacking energy: -35.585
Base-Backbone interact. energy: -0.126
local terms energy: -61.020472
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -12.704
tors. eta vs tors. theta energy: -6.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -86.958641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.958641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.958641 (E_RNA)
where:
Base-Base interactions energy: -43.250
where: short stacking energy: -30.779
Base-Backbone interact. energy: -0.027
local terms energy: -43.681486
where:
bonds (distance) C4'-P energy: -8.260
bonds (distance) P-C4' energy: -12.158
flat angles C4'-P-C4' energy: -10.662
flat angles P-C4'-P energy: -7.760
tors. eta vs tors. theta energy: -4.841
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: 5
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -89.690929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.690929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.690929 (E_RNA)
where:
Base-Base interactions energy: -37.200
where: short stacking energy: -35.166
Base-Backbone interact. energy: -0.158
local terms energy: -52.333310
where:
bonds (distance) C4'-P energy: -16.059
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -2.615
tors. eta vs tors. theta energy: -2.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -68.584200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.584200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.584200 (E_RNA)
where:
Base-Base interactions energy: -22.531
where: short stacking energy: -13.468
Base-Backbone interact. energy: 2.194
local terms energy: -48.247053
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -5.907
tors. eta vs tors. theta energy: 0.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -233.086159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.086159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.086159 (E_RNA)
where:
Base-Base interactions energy: -150.137
where: short stacking energy: -72.295
Base-Backbone interact. energy: -0.158
local terms energy: -82.791398
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -17.875
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -21.258
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: 2
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -227.599399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.599399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.599399 (E_RNA)
where:
Base-Base interactions energy: -148.707
where: short stacking energy: -71.982
Base-Backbone interact. energy: -0.127
local terms energy: -78.766140
where:
bonds (distance) C4'-P energy: -15.164
bonds (distance) P-C4' energy: -11.759
flat angles C4'-P-C4' energy: -19.175
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -20.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -224.841066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.841066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.841066 (E_RNA)
where:
Base-Base interactions energy: -141.213
where: short stacking energy: -76.332
Base-Backbone interact. energy: -0.015
local terms energy: -83.612961
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -18.933
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -21.679
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: 10
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -217.826834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.826834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.826834 (E_RNA)
where:
Base-Base interactions energy: -141.388
where: short stacking energy: -71.162
Base-Backbone interact. energy: -0.101
local terms energy: -76.338224
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -14.447
flat angles C4'-P-C4' energy: -17.673
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -21.089
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: 5, replica: 6
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -193.153538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.153538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.153538 (E_RNA)
where:
Base-Base interactions energy: -127.383
where: short stacking energy: -65.506
Base-Backbone interact. energy: -0.009
local terms energy: -65.761692
where:
bonds (distance) C4'-P energy: -10.848
bonds (distance) P-C4' energy: -9.035
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -12.482
tors. eta vs tors. theta energy: -17.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -177.375215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.375215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.375215 (E_RNA)
where:
Base-Base interactions energy: -110.994
where: short stacking energy: -49.108
Base-Backbone interact. energy: -0.217
local terms energy: -66.163898
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -5.250
tors. eta vs tors. theta energy: -16.508
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: 9
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -98.211066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.211066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.211066 (E_RNA)
where:
Base-Base interactions energy: -42.549
where: short stacking energy: -24.935
Base-Backbone interact. energy: -0.229
local terms energy: -55.433891
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -11.139
flat angles P-C4'-P energy: -8.286
tors. eta vs tors. theta energy: -6.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -81.087448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.087448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.087448 (E_RNA)
where:
Base-Base interactions energy: -32.958
where: short stacking energy: -32.958
Base-Backbone interact. energy: -0.108
local terms energy: -48.021434
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -10.370
flat angles P-C4'-P energy: -3.734
tors. eta vs tors. theta energy: -3.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -86.810230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.810230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.810230 (E_RNA)
where:
Base-Base interactions energy: -34.589
where: short stacking energy: -34.589
Base-Backbone interact. energy: 1.902
local terms energy: -54.123101
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -9.760
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: -5.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -82.889351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.889351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.889351 (E_RNA)
where:
Base-Base interactions energy: -34.624
where: short stacking energy: -21.414
Base-Backbone interact. energy: -0.048
local terms energy: -48.217664
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -8.302
flat angles P-C4'-P energy: -8.486
tors. eta vs tors. theta energy: -2.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -235.034719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.034719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.034719 (E_RNA)
where:
Base-Base interactions energy: -156.828
where: short stacking energy: -76.662
Base-Backbone interact. energy: -0.239
local terms energy: -77.967620
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -18.565
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -20.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -228.065409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.065409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.065409 (E_RNA)
where:
Base-Base interactions energy: -146.679
where: short stacking energy: -71.048
Base-Backbone interact. energy: -0.031
local terms energy: -81.355907
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -15.304
tors. eta vs tors. theta energy: -20.467
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: 2
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -217.744744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.744744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.744744 (E_RNA)
where:
Base-Base interactions energy: -145.193
where: short stacking energy: -69.331
Base-Backbone interact. energy: -0.100
local terms energy: -72.451620
where:
bonds (distance) C4'-P energy: -8.725
bonds (distance) P-C4' energy: -17.763
flat angles C4'-P-C4' energy: -17.642
flat angles P-C4'-P energy: -11.654
tors. eta vs tors. theta energy: -16.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -222.156689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.156689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.156689 (E_RNA)
where:
Base-Base interactions energy: -147.715
where: short stacking energy: -71.817
Base-Backbone interact. energy: -0.056
local terms energy: -74.385105
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -14.888
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -19.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -220.602370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.602370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.602370 (E_RNA)
where:
Base-Base interactions energy: -152.920
where: short stacking energy: -70.517
Base-Backbone interact. energy: -0.004
local terms energy: -67.678523
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -10.156
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -12.273
tors. eta vs tors. theta energy: -17.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -171.326537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.326537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.326537 (E_RNA)
where:
Base-Base interactions energy: -104.429
where: short stacking energy: -47.904
Base-Backbone interact. energy: 0.344
local terms energy: -67.241573
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -8.885
tors. eta vs tors. theta energy: -14.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -85.623192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.623192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.623192 (E_RNA)
where:
Base-Base interactions energy: -38.071
where: short stacking energy: -29.967
Base-Backbone interact. energy: -0.349
local terms energy: -47.203691
where:
bonds (distance) C4'-P energy: -13.666
bonds (distance) P-C4' energy: -14.662
flat angles C4'-P-C4' energy: -11.518
flat angles P-C4'-P energy: -7.935
tors. eta vs tors. theta energy: 0.578
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: 5
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -80.974265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.974265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.974265 (E_RNA)
where:
Base-Base interactions energy: -28.859
where: short stacking energy: -24.123
Base-Backbone interact. energy: -0.140
local terms energy: -51.974882
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -13.742
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -6.250
tors. eta vs tors. theta energy: -4.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -85.042568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.042568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.042568 (E_RNA)
where:
Base-Base interactions energy: -35.910
where: short stacking energy: -35.910
Base-Backbone interact. energy: 1.214
local terms energy: -50.346297
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -12.432
flat angles C4'-P-C4' energy: -11.078
flat angles P-C4'-P energy: -8.678
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: 10, replica: 1
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -72.824751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.824751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.824751 (E_RNA)
where:
Base-Base interactions energy: -29.547
where: short stacking energy: -17.461
Base-Backbone interact. energy: -0.475
local terms energy: -42.802657
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -13.302
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -1.965
tors. eta vs tors. theta energy: 0.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -223.927207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.927207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.927207 (E_RNA)
where:
Base-Base interactions energy: -138.954
where: short stacking energy: -68.249
Base-Backbone interact. energy: -1.437
local terms energy: -83.537085
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -17.794
flat angles P-C4'-P energy: -11.398
tors. eta vs tors. theta energy: -19.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -228.984936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.984936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.984936 (E_RNA)
where:
Base-Base interactions energy: -148.591
where: short stacking energy: -73.286
Base-Backbone interact. energy: -0.526
local terms energy: -79.868177
where:
bonds (distance) C4'-P energy: -16.062
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -16.130
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -22.712
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: 6
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -227.821989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.821989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.821989 (E_RNA)
where:
Base-Base interactions energy: -151.072
where: short stacking energy: -76.171
Base-Backbone interact. energy: -0.292
local terms energy: -76.457335
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -11.413
tors. eta vs tors. theta energy: -20.912
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: 2
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -217.954975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.954975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.954975 (E_RNA)
where:
Base-Base interactions energy: -144.394
where: short stacking energy: -67.896
Base-Backbone interact. energy: -0.096
local terms energy: -73.464952
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -14.111
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -20.867
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: 4
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -176.932949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.932949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.932949 (E_RNA)
where:
Base-Base interactions energy: -122.703
where: short stacking energy: -51.849
Base-Backbone interact. energy: -0.550
local terms energy: -53.679346
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -12.580
flat angles C4'-P-C4' energy: -10.391
flat angles P-C4'-P energy: -6.105
tors. eta vs tors. theta energy: -9.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -220.852690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.852690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.852690 (E_RNA)
where:
Base-Base interactions energy: -150.148
where: short stacking energy: -77.639
Base-Backbone interact. energy: -0.001
local terms energy: -70.704335
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -12.604
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -8.308
tors. eta vs tors. theta energy: -22.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -84.257354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.257354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.257354 (E_RNA)
where:
Base-Base interactions energy: -32.688
where: short stacking energy: -29.791
Base-Backbone interact. energy: -0.093
local terms energy: -51.475915
where:
bonds (distance) C4'-P energy: -8.882
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -4.500
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: 170
Temperature: 1.250000
Total energy: -92.658413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.658413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.658413 (E_RNA)
where:
Base-Base interactions energy: -38.314
where: short stacking energy: -36.915
Base-Backbone interact. energy: -0.304
local terms energy: -54.040452
where:
bonds (distance) C4'-P energy: -11.911
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -9.371
tors. eta vs tors. theta energy: -3.126
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: 1
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -80.591954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.591954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.591954 (E_RNA)
where:
Base-Base interactions energy: -30.661
where: short stacking energy: -24.216
Base-Backbone interact. energy: -0.018
local terms energy: -49.912911
where:
bonds (distance) C4'-P energy: -12.776
bonds (distance) P-C4' energy: -12.112
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -3.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -88.240105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.240105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.240105 (E_RNA)
where:
Base-Base interactions energy: -35.152
where: short stacking energy: -32.224
Base-Backbone interact. energy: 0.708
local terms energy: -53.796317
where:
bonds (distance) C4'-P energy: -13.636
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -16.806
flat angles P-C4'-P energy: -6.296
tors. eta vs tors. theta energy: -2.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -228.548071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.548071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.548071 (E_RNA)
where:
Base-Base interactions energy: -147.443
where: short stacking energy: -69.309
Base-Backbone interact. energy: -0.099
local terms energy: -81.006165
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -17.645
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: -20.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -221.149183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.149183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.149183 (E_RNA)
where:
Base-Base interactions energy: -141.985
where: short stacking energy: -71.589
Base-Backbone interact. energy: -0.020
local terms energy: -79.144798
where:
bonds (distance) C4'-P energy: -15.629
bonds (distance) P-C4' energy: -14.689
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -9.330
tors. eta vs tors. theta energy: -23.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -222.020675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.020675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.020675 (E_RNA)
where:
Base-Base interactions energy: -147.637
where: short stacking energy: -70.648
Base-Backbone interact. energy: -0.049
local terms energy: -74.334293
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -18.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -198.937035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.937035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.937035 (E_RNA)
where:
Base-Base interactions energy: -125.855
where: short stacking energy: -67.706
Base-Backbone interact. energy: -0.005
local terms energy: -73.077547
where:
bonds (distance) C4'-P energy: -10.145
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -23.086
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: 5, replica: 2
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -210.991982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.991982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.991982 (E_RNA)
where:
Base-Base interactions energy: -143.655
where: short stacking energy: -74.390
Base-Backbone interact. energy: -0.193
local terms energy: -67.143710
where:
bonds (distance) C4'-P energy: -9.958
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -4.811
tors. eta vs tors. theta energy: -20.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -189.550664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.550664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.550664 (E_RNA)
where:
Base-Base interactions energy: -127.223
where: short stacking energy: -62.925
Base-Backbone interact. energy: -0.303
local terms energy: -62.024432
where:
bonds (distance) C4'-P energy: -11.328
bonds (distance) P-C4' energy: -11.178
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -16.734
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: 5
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -84.641098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.641098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.641098 (E_RNA)
where:
Base-Base interactions energy: -28.093
where: short stacking energy: -28.793
Base-Backbone interact. energy: -0.221
local terms energy: -56.327337
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -8.481
tors. eta vs tors. theta energy: -3.611
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: 1
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -87.234999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.234999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.234999 (E_RNA)
where:
Base-Base interactions energy: -36.097
where: short stacking energy: -35.809
Base-Backbone interact. energy: -0.104
local terms energy: -51.034717
where:
bonds (distance) C4'-P energy: -10.892
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -13.084
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -4.254
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: 9
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -80.029023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.029023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.029023 (E_RNA)
where:
Base-Base interactions energy: -29.439
where: short stacking energy: -29.125
Base-Backbone interact. energy: -0.547
local terms energy: -50.042904
where:
bonds (distance) C4'-P energy: -12.485
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -6.531
tors. eta vs tors. theta energy: 0.154
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: 10, replica: 3
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -77.600178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.600178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.600178 (E_RNA)
where:
Base-Base interactions energy: -31.355
where: short stacking energy: -31.286
Base-Backbone interact. energy: 1.801
local terms energy: -48.046228
where:
bonds (distance) C4'-P energy: -7.908
bonds (distance) P-C4' energy: -15.189
flat angles C4'-P-C4' energy: -12.550
flat angles P-C4'-P energy: -8.242
tors. eta vs tors. theta energy: -4.158
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: 1, replica: 6
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -236.359147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.359147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.359147 (E_RNA)
where:
Base-Base interactions energy: -156.574
where: short stacking energy: -74.882
Base-Backbone interact. energy: -0.085
local terms energy: -79.699332
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -20.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -228.845043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.845043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.845043 (E_RNA)
where:
Base-Base interactions energy: -146.234
where: short stacking energy: -68.691
Base-Backbone interact. energy: -0.075
local terms energy: -82.535930
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -17.266
flat angles P-C4'-P energy: -12.362
tors. eta vs tors. theta energy: -18.861
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: 4
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -201.616905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.616905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.616905 (E_RNA)
where:
Base-Base interactions energy: -127.487
where: short stacking energy: -59.206
Base-Backbone interact. energy: -0.001
local terms energy: -74.129200
where:
bonds (distance) C4'-P energy: -14.275
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -16.492
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -17.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -220.795399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.795399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.795399 (E_RNA)
where:
Base-Base interactions energy: -142.874
where: short stacking energy: -74.066
Base-Backbone interact. energy: 1.316
local terms energy: -79.237537
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -17.069
flat angles P-C4'-P energy: -7.530
tors. eta vs tors. theta energy: -22.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -208.675649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.675649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.675649 (E_RNA)
where:
Base-Base interactions energy: -134.747
where: short stacking energy: -73.135
Base-Backbone interact. energy: -0.099
local terms energy: -73.830347
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -18.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -207.194204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.194204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.194204 (E_RNA)
where:
Base-Base interactions energy: -140.692
where: short stacking energy: -65.754
Base-Backbone interact. energy: -1.146
local terms energy: -65.355947
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -12.276
flat angles C4'-P-C4' energy: -11.747
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -17.616
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: 7, replica: 1
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -92.841276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.841276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.841276 (E_RNA)
where:
Base-Base interactions energy: -41.636
where: short stacking energy: -26.509
Base-Backbone interact. energy: -0.407
local terms energy: -50.798723
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -12.919
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -4.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -95.121412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.121412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.121412 (E_RNA)
where:
Base-Base interactions energy: -43.356
where: short stacking energy: -27.224
Base-Backbone interact. energy: -0.119
local terms energy: -51.646035
where:
bonds (distance) C4'-P energy: -8.663
bonds (distance) P-C4' energy: -13.892
flat angles C4'-P-C4' energy: -11.092
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: -7.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -76.879432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.879432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.879432 (E_RNA)
where:
Base-Base interactions energy: -31.754
where: short stacking energy: -31.754
Base-Backbone interact. energy: -0.053
local terms energy: -45.072276
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -10.557
flat angles C4'-P-C4' energy: -12.903
flat angles P-C4'-P energy: -6.103
tors. eta vs tors. theta energy: -3.933
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: 9
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -81.447220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.447220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.447220 (E_RNA)
where:
Base-Base interactions energy: -38.939
where: short stacking energy: -14.208
Base-Backbone interact. energy: -0.336
local terms energy: -42.171840
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -9.469
flat angles P-C4'-P energy: -4.502
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: 6
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -231.476604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.476604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.476604 (E_RNA)
where:
Base-Base interactions energy: -150.763
where: short stacking energy: -75.622
Base-Backbone interact. energy: -0.165
local terms energy: -80.549175
where:
bonds (distance) C4'-P energy: -17.208
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: -20.810
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: 4
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -209.705508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.705508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.705508 (E_RNA)
where:
Base-Base interactions energy: -132.338
where: short stacking energy: -58.937
Base-Backbone interact. energy: -0.023
local terms energy: -77.344987
where:
bonds (distance) C4'-P energy: -16.855
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -18.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -219.973334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.973334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.973334 (E_RNA)
where:
Base-Base interactions energy: -139.215
where: short stacking energy: -61.398
Base-Backbone interact. energy: -0.692
local terms energy: -80.066074
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -17.476
flat angles P-C4'-P energy: -11.906
tors. eta vs tors. theta energy: -20.205
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: 4, replica: 2
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -215.751354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.751354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.751354 (E_RNA)
where:
Base-Base interactions energy: -138.531
where: short stacking energy: -66.471
Base-Backbone interact. energy: -0.582
local terms energy: -76.637853
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -16.575
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -20.176
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: 7
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -212.512726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.512726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.512726 (E_RNA)
where:
Base-Base interactions energy: -140.661
where: short stacking energy: -67.117
Base-Backbone interact. energy: -0.003
local terms energy: -71.849018
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -4.942
tors. eta vs tors. theta energy: -21.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -211.821619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.821619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.821619 (E_RNA)
where:
Base-Base interactions energy: -137.524
where: short stacking energy: -72.401
Base-Backbone interact. energy: -0.056
local terms energy: -74.241742
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -16.187
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -5.423
tors. eta vs tors. theta energy: -21.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -97.411251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.411251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.411251 (E_RNA)
where:
Base-Base interactions energy: -43.449
where: short stacking energy: -34.463
Base-Backbone interact. energy: -0.133
local terms energy: -53.828999
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -15.651
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -8.003
tors. eta vs tors. theta energy: 0.041
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: 3
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -85.791630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.791630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.791630 (E_RNA)
where:
Base-Base interactions energy: -34.106
where: short stacking energy: -30.647
Base-Backbone interact. energy: -0.527
local terms energy: -51.158778
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -13.217
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -7.724
tors. eta vs tors. theta energy: -2.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -80.503649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.503649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.503649 (E_RNA)
where:
Base-Base interactions energy: -33.810
where: short stacking energy: -33.810
Base-Backbone interact. energy: -0.763
local terms energy: -45.929986
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -11.177
flat angles P-C4'-P energy: -7.068
tors. eta vs tors. theta energy: 0.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -77.284051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.284051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.284051 (E_RNA)
where:
Base-Base interactions energy: -27.166
where: short stacking energy: -24.803
Base-Backbone interact. energy: -0.218
local terms energy: -49.900648
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -12.905
flat angles P-C4'-P energy: -6.638
tors. eta vs tors. theta energy: 0.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -208.328467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.328467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.328467 (E_RNA)
where:
Base-Base interactions energy: -138.108
where: short stacking energy: -62.766
Base-Backbone interact. energy: -1.727
local terms energy: -68.493210
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -14.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -227.165007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.165007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.165007 (E_RNA)
where:
Base-Base interactions energy: -147.895
where: short stacking energy: -73.598
Base-Backbone interact. energy: -0.251
local terms energy: -79.019224
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -20.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -220.358980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.358980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.358980 (E_RNA)
where:
Base-Base interactions energy: -141.468
where: short stacking energy: -71.879
Base-Backbone interact. energy: -0.295
local terms energy: -78.596385
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -16.401
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -16.794
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: 2
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -208.631581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.631581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.631581 (E_RNA)
where:
Base-Base interactions energy: -136.691
where: short stacking energy: -73.507
Base-Backbone interact. energy: -0.350
local terms energy: -71.590395
where:
bonds (distance) C4'-P energy: -11.845
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -21.213
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: 174
Temperature: 1.100000
Total energy: -205.004867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.004867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.004867 (E_RNA)
where:
Base-Base interactions energy: -143.956
where: short stacking energy: -64.582
Base-Backbone interact. energy: -0.092
local terms energy: -60.956477
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -10.495
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -14.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -195.071445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.071445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.071445 (E_RNA)
where:
Base-Base interactions energy: -125.585
where: short stacking energy: -54.072
Base-Backbone interact. energy: -0.302
local terms energy: -69.184053
where:
bonds (distance) C4'-P energy: -10.902
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -16.187
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -16.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -113.719688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.719688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.719688 (E_RNA)
where:
Base-Base interactions energy: -62.908
where: short stacking energy: -30.366
Base-Backbone interact. energy: -0.439
local terms energy: -50.372941
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -11.088
flat angles C4'-P-C4' energy: -12.161
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -2.085
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: 3
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -94.094467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.094467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.094467 (E_RNA)
where:
Base-Base interactions energy: -34.972
where: short stacking energy: -29.898
Base-Backbone interact. energy: -0.193
local terms energy: -58.929314
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -16.784
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -2.624
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: 9
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -83.450713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.450713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.450713 (E_RNA)
where:
Base-Base interactions energy: -35.197
where: short stacking energy: -35.197
Base-Backbone interact. energy: -0.111
local terms energy: -48.142360
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -10.745
flat angles C4'-P-C4' energy: -11.862
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -1.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -71.378347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.378347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.378347 (E_RNA)
where:
Base-Base interactions energy: -36.487
where: short stacking energy: -18.114
Base-Backbone interact. energy: 0.771
local terms energy: -35.662345
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -11.170
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -3.377
tors. eta vs tors. theta energy: 4.044
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: 4
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -219.365540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.365540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.365540 (E_RNA)
where:
Base-Base interactions energy: -154.882
where: short stacking energy: -56.686
Base-Backbone interact. energy: -0.244
local terms energy: -64.239163
where:
bonds (distance) C4'-P energy: -10.476
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -10.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -229.333328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.333328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.333328 (E_RNA)
where:
Base-Base interactions energy: -152.643
where: short stacking energy: -72.994
Base-Backbone interact. energy: -0.003
local terms energy: -76.686760
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -17.572
flat angles P-C4'-P energy: -12.372
tors. eta vs tors. theta energy: -19.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -226.324001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.324001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.324001 (E_RNA)
where:
Base-Base interactions energy: -150.200
where: short stacking energy: -76.384
Base-Backbone interact. energy: 0.917
local terms energy: -77.040901
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -17.615
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -17.069
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: 7
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -220.128963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.128963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.128963 (E_RNA)
where:
Base-Base interactions energy: -147.343
where: short stacking energy: -69.445
Base-Backbone interact. energy: 0.251
local terms energy: -73.037228
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -20.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -213.439141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.439141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.439141 (E_RNA)
where:
Base-Base interactions energy: -136.949
where: short stacking energy: -68.308
Base-Backbone interact. energy: -0.917
local terms energy: -75.573398
where:
bonds (distance) C4'-P energy: -9.925
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -14.924
tors. eta vs tors. theta energy: -19.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -199.544894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.544894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.544894 (E_RNA)
where:
Base-Base interactions energy: -127.379
where: short stacking energy: -56.535
Base-Backbone interact. energy: -0.559
local terms energy: -71.607027
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -16.347
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: 1
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -95.788964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.788964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.788964 (E_RNA)
where:
Base-Base interactions energy: -40.705
where: short stacking energy: -40.705
Base-Backbone interact. energy: -0.152
local terms energy: -54.931833
where:
bonds (distance) C4'-P energy: -8.953
bonds (distance) P-C4' energy: -12.642
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -7.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -89.779082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.779082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.779082 (E_RNA)
where:
Base-Base interactions energy: -35.403
where: short stacking energy: -35.010
Base-Backbone interact. energy: -0.108
local terms energy: -54.267717
where:
bonds (distance) C4'-P energy: -9.218
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -6.327
tors. eta vs tors. theta energy: -7.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -81.226364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.226364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.226364 (E_RNA)
where:
Base-Base interactions energy: -37.716
where: short stacking energy: -23.445
Base-Backbone interact. energy: -0.351
local terms energy: -43.159216
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -11.571
flat angles C4'-P-C4' energy: -9.319
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: 1.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -80.129091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.129091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.129091 (E_RNA)
where:
Base-Base interactions energy: -28.039
where: short stacking energy: -24.349
Base-Backbone interact. energy: -1.108
local terms energy: -50.982585
where:
bonds (distance) C4'-P energy: -14.348
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -6.261
tors. eta vs tors. theta energy: 2.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -231.377521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.377521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.377521 (E_RNA)
where:
Base-Base interactions energy: -151.392
where: short stacking energy: -75.333
Base-Backbone interact. energy: -0.054
local terms energy: -79.930988
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -17.187
flat angles P-C4'-P energy: -11.230
tors. eta vs tors. theta energy: -20.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -203.549908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.549908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.549908 (E_RNA)
where:
Base-Base interactions energy: -128.806
where: short stacking energy: -60.151
Base-Backbone interact. energy: -0.079
local terms energy: -74.665024
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -17.317
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -13.221
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: 7
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -223.134052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.134052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.134052 (E_RNA)
where:
Base-Base interactions energy: -144.006
where: short stacking energy: -74.097
Base-Backbone interact. energy: -0.045
local terms energy: -79.082802
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: -20.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -214.486340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.486340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.486340 (E_RNA)
where:
Base-Base interactions energy: -138.999
where: short stacking energy: -69.703
Base-Backbone interact. energy: -0.002
local terms energy: -75.485372
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -16.349
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -21.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -215.620108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.620108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.620108 (E_RNA)
where:
Base-Base interactions energy: -140.093
where: short stacking energy: -66.848
Base-Backbone interact. energy: -0.805
local terms energy: -74.722372
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -12.991
flat angles P-C4'-P energy: -11.699
tors. eta vs tors. theta energy: -18.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -216.753758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.753758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.753758 (E_RNA)
where:
Base-Base interactions energy: -142.794
where: short stacking energy: -72.178
Base-Backbone interact. energy: -0.240
local terms energy: -73.720442
where:
bonds (distance) C4'-P energy: -11.275
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -22.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -89.694416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.694416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.694416 (E_RNA)
where:
Base-Base interactions energy: -44.939
where: short stacking energy: -42.902
Base-Backbone interact. energy: -0.016
local terms energy: -44.739745
where:
bonds (distance) C4'-P energy: -9.391
bonds (distance) P-C4' energy: -11.388
flat angles C4'-P-C4' energy: -11.519
flat angles P-C4'-P energy: -7.689
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: 8, replica: 1
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -86.229078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.229078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.229078 (E_RNA)
where:
Base-Base interactions energy: -28.342
where: short stacking energy: -19.667
Base-Backbone interact. energy: -0.653
local terms energy: -57.234240
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -12.975
flat angles P-C4'-P energy: -8.373
tors. eta vs tors. theta energy: -1.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -82.964136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.964136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.964136 (E_RNA)
where:
Base-Base interactions energy: -30.696
where: short stacking energy: -30.696
Base-Backbone interact. energy: -0.052
local terms energy: -52.216312
where:
bonds (distance) C4'-P energy: -9.620
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -4.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -81.598620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.598620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.598620 (E_RNA)
where:
Base-Base interactions energy: -40.815
where: short stacking energy: -16.883
Base-Backbone interact. energy: 0.017
local terms energy: -40.800276
where:
bonds (distance) C4'-P energy: -8.609
bonds (distance) P-C4' energy: -14.627
flat angles C4'-P-C4' energy: -11.113
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: 2.898
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: 177
Temperature: 0.900000
Total energy: -227.662715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.662715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.662715 (E_RNA)
where:
Base-Base interactions energy: -157.121
where: short stacking energy: -65.033
Base-Backbone interact. energy: -0.104
local terms energy: -70.438303
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -12.769
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -18.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -210.223815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.223815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.223815 (E_RNA)
where:
Base-Base interactions energy: -138.556
where: short stacking energy: -62.996
Base-Backbone interact. energy: -0.279
local terms energy: -71.389608
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -15.164
flat angles C4'-P-C4' energy: -16.762
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -14.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -199.227939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.227939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.227939 (E_RNA)
where:
Base-Base interactions energy: -125.020
where: short stacking energy: -59.272
Base-Backbone interact. energy: -0.020
local terms energy: -74.188181
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -14.408
tors. eta vs tors. theta energy: -13.350
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: 2
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -204.538343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.538343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.538343 (E_RNA)
where:
Base-Base interactions energy: -129.277
where: short stacking energy: -64.400
Base-Backbone interact. energy: -0.001
local terms energy: -75.259616
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -16.151
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -18.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -209.801223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.801223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.801223 (E_RNA)
where:
Base-Base interactions energy: -143.611
where: short stacking energy: -75.413
Base-Backbone interact. energy: -0.003
local terms energy: -66.187152
where:
bonds (distance) C4'-P energy: -8.586
bonds (distance) P-C4' energy: -11.833
flat angles C4'-P-C4' energy: -11.625
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -21.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -190.575450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.575450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.575450 (E_RNA)
where:
Base-Base interactions energy: -127.714
where: short stacking energy: -49.807
Base-Backbone interact. energy: 1.457
local terms energy: -64.318557
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -11.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -87.757220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.757220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.757220 (E_RNA)
where:
Base-Base interactions energy: -28.190
where: short stacking energy: -28.190
Base-Backbone interact. energy: 1.339
local terms energy: -60.906522
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -12.950
flat angles P-C4'-P energy: -12.290
tors. eta vs tors. theta energy: -5.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -80.778989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.778989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.778989 (E_RNA)
where:
Base-Base interactions energy: -35.946
where: short stacking energy: -27.951
Base-Backbone interact. energy: -0.029
local terms energy: -44.804236
where:
bonds (distance) C4'-P energy: -10.170
bonds (distance) P-C4' energy: -12.168
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -5.683
tors. eta vs tors. theta energy: -2.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -84.483446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.483446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.483446 (E_RNA)
where:
Base-Base interactions energy: -32.217
where: short stacking energy: -27.021
Base-Backbone interact. energy: -0.415
local terms energy: -51.851304
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -9.105
flat angles P-C4'-P energy: -7.529
tors. eta vs tors. theta energy: -7.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -87.882499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.882499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.882499 (E_RNA)
where:
Base-Base interactions energy: -42.702
where: short stacking energy: -26.681
Base-Backbone interact. energy: 0.157
local terms energy: -45.337794
where:
bonds (distance) C4'-P energy: -11.334
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -10.131
flat angles P-C4'-P energy: -3.095
tors. eta vs tors. theta energy: -4.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -232.744671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.744671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.744671 (E_RNA)
where:
Base-Base interactions energy: -158.883
where: short stacking energy: -68.886
Base-Backbone interact. energy: -0.046
local terms energy: -73.815444
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -14.224
flat angles C4'-P-C4' energy: -17.625
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -16.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -215.699866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.699866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.699866 (E_RNA)
where:
Base-Base interactions energy: -142.837
where: short stacking energy: -70.042
Base-Backbone interact. energy: -0.048
local terms energy: -72.815199
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -12.944
flat angles C4'-P-C4' energy: -15.020
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -18.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -222.637509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.637509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.637509 (E_RNA)
where:
Base-Base interactions energy: -150.040
where: short stacking energy: -73.066
Base-Backbone interact. energy: -0.487
local terms energy: -72.109735
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -19.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -179.854516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.854516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.854516 (E_RNA)
where:
Base-Base interactions energy: -112.062
where: short stacking energy: -47.618
Base-Backbone interact. energy: -1.682
local terms energy: -66.110977
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -9.605
tors. eta vs tors. theta energy: -13.939
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: 10
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -199.871570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.871570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.871570 (E_RNA)
where:
Base-Base interactions energy: -133.303
where: short stacking energy: -60.559
Base-Backbone interact. energy: 0.855
local terms energy: -67.423557
where:
bonds (distance) C4'-P energy: -7.800
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -16.726
flat angles P-C4'-P energy: -12.868
tors. eta vs tors. theta energy: -13.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -193.343110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.343110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.343110 (E_RNA)
where:
Base-Base interactions energy: -126.205
where: short stacking energy: -62.546
Base-Backbone interact. energy: -0.057
local terms energy: -67.081655
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: -15.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -80.444898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.444898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.444898 (E_RNA)
where:
Base-Base interactions energy: -35.199
where: short stacking energy: -20.483
Base-Backbone interact. energy: -0.432
local terms energy: -44.813890
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -14.147
flat angles C4'-P-C4' energy: -12.459
flat angles P-C4'-P energy: -8.593
tors. eta vs tors. theta energy: 4.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -102.687113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.687113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.687113 (E_RNA)
where:
Base-Base interactions energy: -49.233
where: short stacking energy: -46.288
Base-Backbone interact. energy: -0.049
local terms energy: -53.405606
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -12.227
flat angles C4'-P-C4' energy: -10.680
flat angles P-C4'-P energy: -8.294
tors. eta vs tors. theta energy: -8.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -90.515705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.515705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.515705 (E_RNA)
where:
Base-Base interactions energy: -32.590
where: short stacking energy: -31.506
Base-Backbone interact. energy: -0.072
local terms energy: -57.853887
where:
bonds (distance) C4'-P energy: -10.587
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -7.143
tors. eta vs tors. theta energy: -10.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -81.700736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.700736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.700736 (E_RNA)
where:
Base-Base interactions energy: -25.735
where: short stacking energy: -20.595
Base-Backbone interact. energy: -0.093
local terms energy: -55.872296
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -7.850
tors. eta vs tors. theta energy: -5.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -220.416856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.416856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.416856 (E_RNA)
where:
Base-Base interactions energy: -150.620
where: short stacking energy: -66.230
Base-Backbone interact. energy: -0.079
local terms energy: -69.718302
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -12.219
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -11.021
tors. eta vs tors. theta energy: -17.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -224.502937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.502937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.502937 (E_RNA)
where:
Base-Base interactions energy: -148.259
where: short stacking energy: -72.809
Base-Backbone interact. energy: -0.022
local terms energy: -76.222137
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -13.480
tors. eta vs tors. theta energy: -20.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -209.728959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.728959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.728959 (E_RNA)
where:
Base-Base interactions energy: -145.489
where: short stacking energy: -71.169
Base-Backbone interact. energy: -0.192
local terms energy: -64.048564
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -6.714
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -19.276
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: 4, replica: 10
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -221.926334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.926334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.926334 (E_RNA)
where:
Base-Base interactions energy: -140.150
where: short stacking energy: -58.104
Base-Backbone interact. energy: -0.021
local terms energy: -81.755327
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -14.612
tors. eta vs tors. theta energy: -16.694
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: 4
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -182.410689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.410689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.410689 (E_RNA)
where:
Base-Base interactions energy: -115.316
where: short stacking energy: -56.009
Base-Backbone interact. energy: -0.027
local terms energy: -67.068098
where:
bonds (distance) C4'-P energy: -9.971
bonds (distance) P-C4' energy: -16.725
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -15.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -198.990733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.990733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.990733 (E_RNA)
where:
Base-Base interactions energy: -132.622
where: short stacking energy: -59.320
Base-Backbone interact. energy: -0.005
local terms energy: -66.363789
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -7.239
tors. eta vs tors. theta energy: -17.077
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: 7, replica: 9
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -99.156645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.156645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.156645 (E_RNA)
where:
Base-Base interactions energy: -44.182
where: short stacking energy: -36.114
Base-Backbone interact. energy: -0.580
local terms energy: -54.394609
where:
bonds (distance) C4'-P energy: -10.904
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -3.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -81.967145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.967145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.967145 (E_RNA)
where:
Base-Base interactions energy: -31.531
where: short stacking energy: -27.914
Base-Backbone interact. energy: -0.301
local terms energy: -50.134777
where:
bonds (distance) C4'-P energy: -9.225
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -7.387
tors. eta vs tors. theta energy: -4.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -78.685010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.685010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.685010 (E_RNA)
where:
Base-Base interactions energy: -28.630
where: short stacking energy: -27.421
Base-Backbone interact. energy: -0.280
local terms energy: -49.774109
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -11.854
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -5.868
tors. eta vs tors. theta energy: -4.727
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: 1
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -79.891984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.891984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.891984 (E_RNA)
where:
Base-Base interactions energy: -32.389
where: short stacking energy: -28.531
Base-Backbone interact. energy: -0.080
local terms energy: -47.422814
where:
bonds (distance) C4'-P energy: -11.483
bonds (distance) P-C4' energy: -12.306
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -2.488
tors. eta vs tors. theta energy: -7.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -232.164563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.164563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.164563 (E_RNA)
where:
Base-Base interactions energy: -154.389
where: short stacking energy: -77.345
Base-Backbone interact. energy: -0.496
local terms energy: -77.279653
where:
bonds (distance) C4'-P energy: -17.956
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -11.522
tors. eta vs tors. theta energy: -19.036
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: 2, replica: 8
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -213.105085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.105085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.105085 (E_RNA)
where:
Base-Base interactions energy: -137.038
where: short stacking energy: -70.920
Base-Backbone interact. energy: -0.004
local terms energy: -76.063280
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -12.729
tors. eta vs tors. theta energy: -21.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -226.974956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.974956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.974956 (E_RNA)
where:
Base-Base interactions energy: -146.612
where: short stacking energy: -69.593
Base-Backbone interact. energy: -0.004
local terms energy: -80.359222
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -23.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -212.968162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.968162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.968162 (E_RNA)
where:
Base-Base interactions energy: -141.779
where: short stacking energy: -65.827
Base-Backbone interact. energy: 0.554
local terms energy: -71.742849
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -8.770
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: 5, replica: 6
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -214.229027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.229027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.229027 (E_RNA)
where:
Base-Base interactions energy: -143.696
where: short stacking energy: -60.875
Base-Backbone interact. energy: -0.407
local terms energy: -70.126756
where:
bonds (distance) C4'-P energy: -12.684
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -18.254
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -14.141
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: 180
Temperature: 1.150000
Total energy: -180.932589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.932589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.932589 (E_RNA)
where:
Base-Base interactions energy: -113.896
where: short stacking energy: -59.725
Base-Backbone interact. energy: -0.241
local terms energy: -66.795552
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -13.335
flat angles C4'-P-C4' energy: -12.795
flat angles P-C4'-P energy: -8.764
tors. eta vs tors. theta energy: -17.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -115.177142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.177142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.177142 (E_RNA)
where:
Base-Base interactions energy: -58.908
where: short stacking energy: -35.465
Base-Backbone interact. energy: -0.646
local terms energy: -55.623253
where:
bonds (distance) C4'-P energy: -16.937
bonds (distance) P-C4' energy: -12.067
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -2.419
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: 8, replica: 3
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -85.051659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.051659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.051659 (E_RNA)
where:
Base-Base interactions energy: -33.462
where: short stacking energy: -33.194
Base-Backbone interact. energy: -0.036
local terms energy: -51.553778
where:
bonds (distance) C4'-P energy: -9.798
bonds (distance) P-C4' energy: -16.415
flat angles C4'-P-C4' energy: -12.509
flat angles P-C4'-P energy: -4.330
tors. eta vs tors. theta energy: -8.502
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: 1
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -89.124774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.124774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.124774 (E_RNA)
where:
Base-Base interactions energy: -43.106
where: short stacking energy: -28.575
Base-Backbone interact. energy: -0.194
local terms energy: -45.825292
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -8.793
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -5.444
tors. eta vs tors. theta energy: 2.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -75.127642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.127642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.127642 (E_RNA)
where:
Base-Base interactions energy: -26.633
where: short stacking energy: -25.101
Base-Backbone interact. energy: -0.034
local terms energy: -48.461435
where:
bonds (distance) C4'-P energy: -10.928
bonds (distance) P-C4' energy: -9.615
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -3.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -231.499742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.499742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.499742 (E_RNA)
where:
Base-Base interactions energy: -156.693
where: short stacking energy: -78.664
Base-Backbone interact. energy: -0.004
local terms energy: -74.802913
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -8.617
tors. eta vs tors. theta energy: -21.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -232.342457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.342457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.342457 (E_RNA)
where:
Base-Base interactions energy: -155.395
where: short stacking energy: -76.319
Base-Backbone interact. energy: -0.001
local terms energy: -76.946198
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -12.410
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -23.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -209.178497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.178497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.178497 (E_RNA)
where:
Base-Base interactions energy: -130.743
where: short stacking energy: -65.897
Base-Backbone interact. energy: -0.034
local terms energy: -78.402035
where:
bonds (distance) C4'-P energy: -17.393
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -15.290
flat angles P-C4'-P energy: -10.912
tors. eta vs tors. theta energy: -17.371
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: 181
Temperature: 1.050000
Total energy: -211.680316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.680316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.680316 (E_RNA)
where:
Base-Base interactions energy: -142.520
where: short stacking energy: -63.835
Base-Backbone interact. energy: -0.002
local terms energy: -69.158540
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -18.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -179.160109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.160109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.160109 (E_RNA)
where:
Base-Base interactions energy: -114.537
where: short stacking energy: -53.354
Base-Backbone interact. energy: -0.136
local terms energy: -64.486579
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -12.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -181.666156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.666156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.666156 (E_RNA)
where:
Base-Base interactions energy: -119.447
where: short stacking energy: -50.250
Base-Backbone interact. energy: -0.087
local terms energy: -62.132502
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -15.806
flat angles C4'-P-C4' energy: -10.670
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -12.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -94.487162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.487162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.487162 (E_RNA)
where:
Base-Base interactions energy: -44.172
where: short stacking energy: -41.341
Base-Backbone interact. energy: 0.473
local terms energy: -50.787731
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -12.674
flat angles C4'-P-C4' energy: -11.414
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -2.344
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: 1
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -84.144619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.144619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.144619 (E_RNA)
where:
Base-Base interactions energy: -32.791
where: short stacking energy: -30.259
Base-Backbone interact. energy: -0.097
local terms energy: -51.257230
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -12.275
flat angles C4'-P-C4' energy: -10.805
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: -5.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -84.682480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.682480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.682480 (E_RNA)
where:
Base-Base interactions energy: -30.351
where: short stacking energy: -21.903
Base-Backbone interact. energy: -0.578
local terms energy: -53.752775
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -14.753
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: 4.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -77.512108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.512108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.512108 (E_RNA)
where:
Base-Base interactions energy: -25.643
where: short stacking energy: -24.251
Base-Backbone interact. energy: -0.006
local terms energy: -51.862928
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -7.885
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: 2
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -226.842970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.842970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.842970 (E_RNA)
where:
Base-Base interactions energy: -149.503
where: short stacking energy: -77.096
Base-Backbone interact. energy: -0.835
local terms energy: -76.504744
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -19.281
flat angles P-C4'-P energy: -8.452
tors. eta vs tors. theta energy: -20.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -225.952882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.952882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.952882 (E_RNA)
where:
Base-Base interactions energy: -145.015
where: short stacking energy: -70.997
Base-Backbone interact. energy: -0.630
local terms energy: -80.307709
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -13.920
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -20.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -224.263120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.263120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.263120 (E_RNA)
where:
Base-Base interactions energy: -145.613
where: short stacking energy: -72.341
Base-Backbone interact. energy: -0.454
local terms energy: -78.195846
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -12.876
tors. eta vs tors. theta energy: -17.599
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: 8
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -201.898045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.898045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.898045 (E_RNA)
where:
Base-Base interactions energy: -128.564
where: short stacking energy: -57.935
Base-Backbone interact. energy: -0.355
local terms energy: -72.978694
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -15.084
flat angles C4'-P-C4' energy: -17.545
flat angles P-C4'-P energy: -13.470
tors. eta vs tors. theta energy: -10.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -191.398266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.398266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.398266 (E_RNA)
where:
Base-Base interactions energy: -127.504
where: short stacking energy: -62.413
Base-Backbone interact. energy: -0.039
local terms energy: -63.854778
where:
bonds (distance) C4'-P energy: -10.348
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -9.890
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -16.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -199.645394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.645394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.645394 (E_RNA)
where:
Base-Base interactions energy: -129.182
where: short stacking energy: -56.142
Base-Backbone interact. energy: 0.038
local terms energy: -70.500895
where:
bonds (distance) C4'-P energy: -8.962
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -11.585
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: 7, replica: 1
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -92.543661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.543661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.543661 (E_RNA)
where:
Base-Base interactions energy: -39.294
where: short stacking energy: -36.947
Base-Backbone interact. energy: -0.002
local terms energy: -53.247659
where:
bonds (distance) C4'-P energy: -7.780
bonds (distance) P-C4' energy: -12.285
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -7.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -86.874623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.874623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.874623 (E_RNA)
where:
Base-Base interactions energy: -34.977
where: short stacking energy: -34.715
Base-Backbone interact. energy: 0.168
local terms energy: -52.065339
where:
bonds (distance) C4'-P energy: -11.837
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -4.853
tors. eta vs tors. theta energy: -4.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -75.396514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.396514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.396514 (E_RNA)
where:
Base-Base interactions energy: -30.738
where: short stacking energy: -21.153
Base-Backbone interact. energy: -1.307
local terms energy: -43.351931
where:
bonds (distance) C4'-P energy: -11.723
bonds (distance) P-C4' energy: -12.787
flat angles C4'-P-C4' energy: -7.449
flat angles P-C4'-P energy: -6.513
tors. eta vs tors. theta energy: -4.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -84.974986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.974986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.974986 (E_RNA)
where:
Base-Base interactions energy: -27.018
where: short stacking energy: -27.018
Base-Backbone interact. energy: -0.305
local terms energy: -57.651745
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -2.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -233.368255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.368255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.368255 (E_RNA)
where:
Base-Base interactions energy: -151.631
where: short stacking energy: -75.208
Base-Backbone interact. energy: -0.104
local terms energy: -81.632590
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -11.550
tors. eta vs tors. theta energy: -22.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -229.974012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.974012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.974012 (E_RNA)
where:
Base-Base interactions energy: -152.500
where: short stacking energy: -67.449
Base-Backbone interact. energy: -0.082
local terms energy: -77.391701
where:
bonds (distance) C4'-P energy: -14.804
bonds (distance) P-C4' energy: -14.735
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -19.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -222.433775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.433775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.433775 (E_RNA)
where:
Base-Base interactions energy: -149.415
where: short stacking energy: -72.270
Base-Backbone interact. energy: -0.005
local terms energy: -73.013072
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -17.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -211.268761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.268761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.268761 (E_RNA)
where:
Base-Base interactions energy: -137.308
where: short stacking energy: -65.167
Base-Backbone interact. energy: -0.465
local terms energy: -73.496084
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -15.698
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: -19.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -186.015083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.015083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.015083 (E_RNA)
where:
Base-Base interactions energy: -121.602
where: short stacking energy: -67.206
Base-Backbone interact. energy: -1.201
local terms energy: -63.212546
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -8.010
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -18.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -202.793464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.793464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.793464 (E_RNA)
where:
Base-Base interactions energy: -131.197
where: short stacking energy: -68.865
Base-Backbone interact. energy: -0.005
local terms energy: -71.591027
where:
bonds (distance) C4'-P energy: -8.933
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -11.291
tors. eta vs tors. theta energy: -23.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -104.101815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.101815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.101815 (E_RNA)
where:
Base-Base interactions energy: -53.679
where: short stacking energy: -32.453
Base-Backbone interact. energy: -0.008
local terms energy: -50.415423
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -10.665
flat angles P-C4'-P energy: -7.984
tors. eta vs tors. theta energy: -5.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -88.243081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.243081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.243081 (E_RNA)
where:
Base-Base interactions energy: -37.983
where: short stacking energy: -35.869
Base-Backbone interact. energy: 0.451
local terms energy: -50.711086
where:
bonds (distance) C4'-P energy: -5.127
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -8.830
tors. eta vs tors. theta energy: -6.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -94.609121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.609121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.609121 (E_RNA)
where:
Base-Base interactions energy: -35.945
where: short stacking energy: -35.945
Base-Backbone interact. energy: -0.180
local terms energy: -58.483676
where:
bonds (distance) C4'-P energy: -13.758
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -12.603
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -10.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -81.428693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.428693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.428693 (E_RNA)
where:
Base-Base interactions energy: -29.772
where: short stacking energy: -29.164
Base-Backbone interact. energy: -0.172
local terms energy: -51.485194
where:
bonds (distance) C4'-P energy: -12.725
bonds (distance) P-C4' energy: -12.057
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -2.473
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: 6
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -232.947743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.947743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.947743 (E_RNA)
where:
Base-Base interactions energy: -149.643
where: short stacking energy: -76.875
Base-Backbone interact. energy: -0.582
local terms energy: -82.723272
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -23.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -233.652105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.652105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.652105 (E_RNA)
where:
Base-Base interactions energy: -149.090
where: short stacking energy: -79.675
Base-Backbone interact. energy: -0.010
local terms energy: -84.552711
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -17.598
flat angles P-C4'-P energy: -12.640
tors. eta vs tors. theta energy: -22.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -222.170643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.170643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.170643 (E_RNA)
where:
Base-Base interactions energy: -146.176
where: short stacking energy: -71.305
Base-Backbone interact. energy: -0.187
local terms energy: -75.807385
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -21.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -218.169593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.169593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.169593 (E_RNA)
where:
Base-Base interactions energy: -145.641
where: short stacking energy: -70.400
Base-Backbone interact. energy: -0.688
local terms energy: -71.841335
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -12.254
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -18.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -217.356916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.356916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.356916 (E_RNA)
where:
Base-Base interactions energy: -140.245
where: short stacking energy: -65.322
Base-Backbone interact. energy: -0.502
local terms energy: -76.609243
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -17.350
flat angles P-C4'-P energy: -11.243
tors. eta vs tors. theta energy: -20.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -175.114145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.114145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.114145 (E_RNA)
where:
Base-Base interactions energy: -120.637
where: short stacking energy: -42.221
Base-Backbone interact. energy: -0.188
local terms energy: -54.289660
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -10.718
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -6.466
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: 7, replica: 3
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -91.005519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.005519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.005519 (E_RNA)
where:
Base-Base interactions energy: -43.513
where: short stacking energy: -28.257
Base-Backbone interact. energy: -0.277
local terms energy: -47.216238
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -14.348
flat angles C4'-P-C4' energy: -10.015
flat angles P-C4'-P energy: -5.593
tors. eta vs tors. theta energy: -1.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -91.457936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.457936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.457936 (E_RNA)
where:
Base-Base interactions energy: -37.229
where: short stacking energy: -32.684
Base-Backbone interact. energy: -0.102
local terms energy: -54.126708
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -18.441
flat angles C4'-P-C4' energy: -11.682
flat angles P-C4'-P energy: -5.045
tors. eta vs tors. theta energy: -5.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -78.784917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.784917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.784917 (E_RNA)
where:
Base-Base interactions energy: -28.737
where: short stacking energy: -28.737
Base-Backbone interact. energy: 0.790
local terms energy: -50.838107
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -12.284
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -1.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -77.934185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.934185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.934185 (E_RNA)
where:
Base-Base interactions energy: -23.430
where: short stacking energy: -23.430
Base-Backbone interact. energy: -0.180
local terms energy: -54.323486
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -13.649
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -0.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -220.771748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.771748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.771748 (E_RNA)
where:
Base-Base interactions energy: -140.184
where: short stacking energy: -68.598
Base-Backbone interact. energy: -0.186
local terms energy: -80.401411
where:
bonds (distance) C4'-P energy: -13.176
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -14.014
tors. eta vs tors. theta energy: -20.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -224.465278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.465278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.465278 (E_RNA)
where:
Base-Base interactions energy: -148.559
where: short stacking energy: -64.498
Base-Backbone interact. energy: 0.565
local terms energy: -76.471405
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -18.647
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: 2
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -223.065536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.065536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.065536 (E_RNA)
where:
Base-Base interactions energy: -148.774
where: short stacking energy: -73.786
Base-Backbone interact. energy: -0.117
local terms energy: -74.174824
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -17.956
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -20.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -219.470575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.470575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.470575 (E_RNA)
where:
Base-Base interactions energy: -141.820
where: short stacking energy: -71.439
Base-Backbone interact. energy: -0.078
local terms energy: -77.572375
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -11.508
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: 5, replica: 7
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -211.536194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.536194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.536194 (E_RNA)
where:
Base-Base interactions energy: -133.789
where: short stacking energy: -60.354
Base-Backbone interact. energy: -0.255
local terms energy: -77.491754
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -12.918
tors. eta vs tors. theta energy: -18.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -190.017765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.017765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.017765 (E_RNA)
where:
Base-Base interactions energy: -130.085
where: short stacking energy: -54.768
Base-Backbone interact. energy: -0.049
local terms energy: -59.883611
where:
bonds (distance) C4'-P energy: -7.908
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -10.849
tors. eta vs tors. theta energy: -11.575
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: 3
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -94.815852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.815852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.815852 (E_RNA)
where:
Base-Base interactions energy: -41.855
where: short stacking energy: -41.855
Base-Backbone interact. energy: -0.035
local terms energy: -52.925282
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -10.634
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -6.089
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: 9
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -89.705545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.705545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.705545 (E_RNA)
where:
Base-Base interactions energy: -33.949
where: short stacking energy: -29.482
Base-Backbone interact. energy: -0.077
local terms energy: -55.679830
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -13.799
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -8.461
tors. eta vs tors. theta energy: -4.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -87.525432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.525432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.525432 (E_RNA)
where:
Base-Base interactions energy: -40.223
where: short stacking energy: -39.569
Base-Backbone interact. energy: -0.044
local terms energy: -47.258319
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -11.620
flat angles C4'-P-C4' energy: -10.186
flat angles P-C4'-P energy: -6.505
tors. eta vs tors. theta energy: -6.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -81.385231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.385231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.385231 (E_RNA)
where:
Base-Base interactions energy: -45.846
where: short stacking energy: -13.042
Base-Backbone interact. energy: -0.295
local terms energy: -35.244592
where:
bonds (distance) C4'-P energy: -11.690
bonds (distance) P-C4' energy: -9.414
flat angles C4'-P-C4' energy: -9.550
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: 5.475
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: 10
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -235.637702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.637702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.637702 (E_RNA)
where:
Base-Base interactions energy: -148.031
where: short stacking energy: -78.832
Base-Backbone interact. energy: -0.011
local terms energy: -87.595527
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -19.150
flat angles P-C4'-P energy: -11.933
tors. eta vs tors. theta energy: -24.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -228.889932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.889932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.889932 (E_RNA)
where:
Base-Base interactions energy: -149.020
where: short stacking energy: -73.057
Base-Backbone interact. energy: -0.010
local terms energy: -79.859636
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -12.533
tors. eta vs tors. theta energy: -21.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -226.520947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.520947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.520947 (E_RNA)
where:
Base-Base interactions energy: -153.456
where: short stacking energy: -73.592
Base-Backbone interact. energy: -0.002
local terms energy: -73.063118
where:
bonds (distance) C4'-P energy: -11.850
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -15.465
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -19.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -223.441548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.441548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.441548 (E_RNA)
where:
Base-Base interactions energy: -142.997
where: short stacking energy: -74.424
Base-Backbone interact. energy: -0.045
local terms energy: -80.399405
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -12.689
tors. eta vs tors. theta energy: -21.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -200.752188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.752188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.752188 (E_RNA)
where:
Base-Base interactions energy: -136.683
where: short stacking energy: -74.076
Base-Backbone interact. energy: -0.491
local terms energy: -63.578804
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -10.521
flat angles C4'-P-C4' energy: -11.177
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -17.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -182.936962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.936962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.936962 (E_RNA)
where:
Base-Base interactions energy: -113.747
where: short stacking energy: -55.704
Base-Backbone interact. energy: -0.182
local terms energy: -69.007572
where:
bonds (distance) C4'-P energy: -8.318
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -17.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -92.147800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.147800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.147800 (E_RNA)
where:
Base-Base interactions energy: -38.968
where: short stacking energy: -38.371
Base-Backbone interact. energy: -0.195
local terms energy: -52.985247
where:
bonds (distance) C4'-P energy: -6.411
bonds (distance) P-C4' energy: -15.394
flat angles C4'-P-C4' energy: -14.545
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -7.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -83.445406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.445406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.445406 (E_RNA)
where:
Base-Base interactions energy: -32.095
where: short stacking energy: -30.516
Base-Backbone interact. energy: -0.977
local terms energy: -50.373165
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -10.537
flat angles C4'-P-C4' energy: -7.655
flat angles P-C4'-P energy: -8.281
tors. eta vs tors. theta energy: -7.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -81.419673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.419673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.419673 (E_RNA)
where:
Base-Base interactions energy: -39.170
where: short stacking energy: -27.958
Base-Backbone interact. energy: -0.367
local terms energy: -41.882617
where:
bonds (distance) C4'-P energy: -11.130
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -10.975
flat angles P-C4'-P energy: -2.062
tors. eta vs tors. theta energy: -3.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -71.566957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.566957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.566957 (E_RNA)
where:
Base-Base interactions energy: -22.992
where: short stacking energy: -18.426
Base-Backbone interact. energy: -0.780
local terms energy: -47.794251
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -11.345
flat angles C4'-P-C4' energy: -11.730
flat angles P-C4'-P energy: -4.939
tors. eta vs tors. theta energy: -5.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -233.687180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.687180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.687180 (E_RNA)
where:
Base-Base interactions energy: -160.034
where: short stacking energy: -76.947
Base-Backbone interact. energy: 0.054
local terms energy: -73.706944
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -12.230
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: -19.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -230.763699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.763699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.763699 (E_RNA)
where:
Base-Base interactions energy: -157.380
where: short stacking energy: -75.069
Base-Backbone interact. energy: -0.006
local terms energy: -73.378094
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -15.357
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -19.930
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: 3, replica: 8
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -221.163352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.163352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.163352 (E_RNA)
where:
Base-Base interactions energy: -149.531
where: short stacking energy: -71.090
Base-Backbone interact. energy: -0.344
local terms energy: -71.288359
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -12.020
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -9.548
tors. eta vs tors. theta energy: -19.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -212.613342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.613342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.613342 (E_RNA)
where:
Base-Base interactions energy: -142.073
where: short stacking energy: -67.455
Base-Backbone interact. energy: -0.004
local terms energy: -70.536260
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -14.714
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: -17.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -205.825785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.825785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.825785 (E_RNA)
where:
Base-Base interactions energy: -136.760
where: short stacking energy: -68.184
Base-Backbone interact. energy: -0.033
local terms energy: -69.032355
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -10.664
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: -17.581
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: 4
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -187.687581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.687581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.687581 (E_RNA)
where:
Base-Base interactions energy: -124.066
where: short stacking energy: -56.859
Base-Backbone interact. energy: -0.720
local terms energy: -62.901436
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -7.793
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -8.669
tors. eta vs tors. theta energy: -17.149
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: 9
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -108.580084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.580084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.580084 (E_RNA)
where:
Base-Base interactions energy: -39.411
where: short stacking energy: -39.411
Base-Backbone interact. energy: -0.105
local terms energy: -69.064538
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -18.643
flat angles P-C4'-P energy: -7.474
tors. eta vs tors. theta energy: -12.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -108.320242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.320242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.320242 (E_RNA)
where:
Base-Base interactions energy: -52.560
where: short stacking energy: -34.843
Base-Backbone interact. energy: -0.099
local terms energy: -55.660708
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -15.012
flat angles C4'-P-C4' energy: -10.372
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -4.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -79.831980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.831980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.831980 (E_RNA)
where:
Base-Base interactions energy: -26.586
where: short stacking energy: -26.586
Base-Backbone interact. energy: -0.117
local terms energy: -53.128691
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -0.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -81.591925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.591925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.591925 (E_RNA)
where:
Base-Base interactions energy: -33.078
where: short stacking energy: -26.687
Base-Backbone interact. energy: 0.595
local terms energy: -49.108452
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -12.515
flat angles C4'-P-C4' energy: -7.292
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -3.470
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: 6
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -231.153158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.153158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.153158 (E_RNA)
where:
Base-Base interactions energy: -155.874
where: short stacking energy: -68.584
Base-Backbone interact. energy: -0.086
local terms energy: -75.193821
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -16.594
flat angles P-C4'-P energy: -6.146
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: 2, replica: 10
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -226.569149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.569149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.569149 (E_RNA)
where:
Base-Base interactions energy: -152.748
where: short stacking energy: -68.022
Base-Backbone interact. energy: -0.410
local terms energy: -73.410912
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -17.764
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -18.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -221.491327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.491327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.491327 (E_RNA)
where:
Base-Base interactions energy: -146.337
where: short stacking energy: -70.116
Base-Backbone interact. energy: -0.153
local terms energy: -75.001517
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -18.544
flat angles P-C4'-P energy: -12.201
tors. eta vs tors. theta energy: -19.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -195.928135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.928135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.928135 (E_RNA)
where:
Base-Base interactions energy: -131.885
where: short stacking energy: -55.104
Base-Backbone interact. energy: -0.427
local terms energy: -63.616108
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -10.080
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -12.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -218.172689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.172689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.172689 (E_RNA)
where:
Base-Base interactions energy: -154.955
where: short stacking energy: -75.180
Base-Backbone interact. energy: -0.772
local terms energy: -62.445239
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -3.370
tors. eta vs tors. theta energy: -20.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -179.623554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.623554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.623554 (E_RNA)
where:
Base-Base interactions energy: -114.380
where: short stacking energy: -58.042
Base-Backbone interact. energy: -0.068
local terms energy: -65.175324
where:
bonds (distance) C4'-P energy: -12.723
bonds (distance) P-C4' energy: -7.761
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -18.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -122.048900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.048900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.048900 (E_RNA)
where:
Base-Base interactions energy: -65.817
where: short stacking energy: -28.564
Base-Backbone interact. energy: -0.378
local terms energy: -55.853980
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -13.659
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -1.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -80.119160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.119160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.119160 (E_RNA)
where:
Base-Base interactions energy: -33.149
where: short stacking energy: -33.149
Base-Backbone interact. energy: -0.493
local terms energy: -46.476788
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -12.576
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -2.273
tors. eta vs tors. theta energy: -5.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -89.513116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.513116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.513116 (E_RNA)
where:
Base-Base interactions energy: -31.702
where: short stacking energy: -31.802
Base-Backbone interact. energy: 0.503
local terms energy: -58.314316
where:
bonds (distance) C4'-P energy: -11.205
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -11.807
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -5.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -74.468815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.468815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.468815 (E_RNA)
where:
Base-Base interactions energy: -36.631
where: short stacking energy: -28.822
Base-Backbone interact. energy: -0.730
local terms energy: -37.107798
where:
bonds (distance) C4'-P energy: -11.067
bonds (distance) P-C4' energy: -12.844
flat angles C4'-P-C4' energy: -11.965
flat angles P-C4'-P energy: -4.843
tors. eta vs tors. theta energy: 3.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -231.513788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.513788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.513788 (E_RNA)
where:
Base-Base interactions energy: -152.804
where: short stacking energy: -71.035
Base-Backbone interact. energy: -0.001
local terms energy: -78.708725
where:
bonds (distance) C4'-P energy: -14.178
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -16.610
flat angles P-C4'-P energy: -12.779
tors. eta vs tors. theta energy: -18.115
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: 2, replica: 8
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -225.229727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.229727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.229727 (E_RNA)
where:
Base-Base interactions energy: -150.581
where: short stacking energy: -72.996
Base-Backbone interact. energy: -0.008
local terms energy: -74.640922
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -16.768
flat angles P-C4'-P energy: -6.380
tors. eta vs tors. theta energy: -20.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -229.152748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.152748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.152748 (E_RNA)
where:
Base-Base interactions energy: -152.160
where: short stacking energy: -75.592
Base-Backbone interact. energy: -0.003
local terms energy: -76.989770
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -20.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -215.552568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.552568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.552568 (E_RNA)
where:
Base-Base interactions energy: -141.992
where: short stacking energy: -64.095
Base-Backbone interact. energy: -0.096
local terms energy: -73.464650
where:
bonds (distance) C4'-P energy: -12.630
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -22.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -208.442112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.442112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.442112 (E_RNA)
where:
Base-Base interactions energy: -140.668
where: short stacking energy: -60.716
Base-Backbone interact. energy: -1.033
local terms energy: -66.741135
where:
bonds (distance) C4'-P energy: -9.300
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -17.147
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: 6, replica: 4
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -186.589974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.589974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.589974 (E_RNA)
where:
Base-Base interactions energy: -117.332
where: short stacking energy: -58.910
Base-Backbone interact. energy: -0.184
local terms energy: -69.074065
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -17.117
flat angles C4'-P-C4' energy: -10.135
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -17.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -84.359109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.359109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.359109 (E_RNA)
where:
Base-Base interactions energy: -30.923
where: short stacking energy: -24.388
Base-Backbone interact. energy: -0.104
local terms energy: -53.331570
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -14.210
flat angles C4'-P-C4' energy: -9.680
flat angles P-C4'-P energy: -12.931
tors. eta vs tors. theta energy: 0.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -89.086039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.086039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.086039 (E_RNA)
where:
Base-Base interactions energy: -42.357
where: short stacking energy: -41.325
Base-Backbone interact. energy: -0.091
local terms energy: -46.637667
where:
bonds (distance) C4'-P energy: -7.632
bonds (distance) P-C4' energy: -10.862
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -4.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -79.418145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.418145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.418145 (E_RNA)
where:
Base-Base interactions energy: -25.601
where: short stacking energy: -25.466
Base-Backbone interact. energy: -0.254
local terms energy: -53.563398
where:
bonds (distance) C4'-P energy: -17.552
bonds (distance) P-C4' energy: -14.876
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: 4.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -82.919580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.919580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.919580 (E_RNA)
where:
Base-Base interactions energy: -33.167
where: short stacking energy: -30.106
Base-Backbone interact. energy: -0.296
local terms energy: -49.457083
where:
bonds (distance) C4'-P energy: -14.457
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -6.779
flat angles P-C4'-P energy: -5.939
tors. eta vs tors. theta energy: -6.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -228.056068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.056068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.056068 (E_RNA)
where:
Base-Base interactions energy: -154.059
where: short stacking energy: -75.628
Base-Backbone interact. energy: -0.052
local terms energy: -73.945263
where:
bonds (distance) C4'-P energy: -10.562
bonds (distance) P-C4' energy: -14.133
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -20.744
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: 6
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -226.056129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.056129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.056129 (E_RNA)
where:
Base-Base interactions energy: -157.203
where: short stacking energy: -81.155
Base-Backbone interact. energy: -0.055
local terms energy: -68.798923
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -10.352
flat angles C4'-P-C4' energy: -18.438
flat angles P-C4'-P energy: -9.331
tors. eta vs tors. theta energy: -18.475
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: 10
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -219.017189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.017189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.017189 (E_RNA)
where:
Base-Base interactions energy: -145.358
where: short stacking energy: -65.000
Base-Backbone interact. energy: -0.397
local terms energy: -73.263054
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -16.645
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -19.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -219.344286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.344286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.344286 (E_RNA)
where:
Base-Base interactions energy: -143.422
where: short stacking energy: -73.150
Base-Backbone interact. energy: -0.609
local terms energy: -75.312903
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -15.723
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -19.968
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: 7
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -204.291993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.291993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.291993 (E_RNA)
where:
Base-Base interactions energy: -133.900
where: short stacking energy: -65.093
Base-Backbone interact. energy: -0.755
local terms energy: -69.636770
where:
bonds (distance) C4'-P energy: -15.379
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -8.311
tors. eta vs tors. theta energy: -16.750
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: 4
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -166.445710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.445710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.445710 (E_RNA)
where:
Base-Base interactions energy: -105.515
where: short stacking energy: -50.843
Base-Backbone interact. energy: 0.005
local terms energy: -60.935741
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -13.368
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -8.781
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: 7, replica: 3
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -99.172717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.172717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.172717 (E_RNA)
where:
Base-Base interactions energy: -39.906
where: short stacking energy: -37.779
Base-Backbone interact. energy: 0.704
local terms energy: -59.970802
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -17.337
flat angles P-C4'-P energy: -4.611
tors. eta vs tors. theta energy: -6.901
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: 8, replica: 5
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -95.446817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.446817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.446817 (E_RNA)
where:
Base-Base interactions energy: -43.461
where: short stacking energy: -24.743
Base-Backbone interact. energy: -0.442
local terms energy: -51.543401
where:
bonds (distance) C4'-P energy: -14.946
bonds (distance) P-C4' energy: -13.868
flat angles C4'-P-C4' energy: -11.670
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -0.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -81.396007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.396007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.396007 (E_RNA)
where:
Base-Base interactions energy: -22.466
where: short stacking energy: -22.466
Base-Backbone interact. energy: -0.030
local terms energy: -58.899485
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -5.333
tors. eta vs tors. theta energy: -3.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -90.683908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.683908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.683908 (E_RNA)
where:
Base-Base interactions energy: -34.789
where: short stacking energy: -34.789
Base-Backbone interact. energy: -0.218
local terms energy: -55.676500
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -12.038
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -2.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -230.549687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.549687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.549687 (E_RNA)
where:
Base-Base interactions energy: -150.635
where: short stacking energy: -75.227
Base-Backbone interact. energy: -0.050
local terms energy: -79.864306
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -21.909
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: 2, replica: 10
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -227.415783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.415783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.415783 (E_RNA)
where:
Base-Base interactions energy: -151.234
where: short stacking energy: -77.529
Base-Backbone interact. energy: -0.014
local terms energy: -76.167500
where:
bonds (distance) C4'-P energy: -11.110
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -11.779
tors. eta vs tors. theta energy: -22.777
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: 6
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -226.394817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.394817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.394817 (E_RNA)
where:
Base-Base interactions energy: -149.360
where: short stacking energy: -77.164
Base-Backbone interact. energy: -0.753
local terms energy: -76.281343
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -17.199
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -21.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -224.466498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.466498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.466498 (E_RNA)
where:
Base-Base interactions energy: -145.842
where: short stacking energy: -69.474
Base-Backbone interact. energy: -0.472
local terms energy: -78.152572
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -18.342
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: -19.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -191.774823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.774823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.774823 (E_RNA)
where:
Base-Base interactions energy: -125.048
where: short stacking energy: -62.499
Base-Backbone interact. energy: -0.059
local terms energy: -66.667974
where:
bonds (distance) C4'-P energy: -11.443
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -14.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -160.668013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.668013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.668013 (E_RNA)
where:
Base-Base interactions energy: -106.031
where: short stacking energy: -46.693
Base-Backbone interact. energy: -0.137
local terms energy: -54.499318
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -11.252
flat angles C4'-P-C4' energy: -10.783
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: -8.531
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: 7, replica: 3
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -93.953740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.953740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.953740 (E_RNA)
where:
Base-Base interactions energy: -51.263
where: short stacking energy: -28.940
Base-Backbone interact. energy: -0.602
local terms energy: -42.088363
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -1.076
tors. eta vs tors. theta energy: 0.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -82.940073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.940073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.940073 (E_RNA)
where:
Base-Base interactions energy: -28.527
where: short stacking energy: -28.527
Base-Backbone interact. energy: -0.094
local terms energy: -54.319387
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -12.284
flat angles C4'-P-C4' energy: -10.511
flat angles P-C4'-P energy: -14.706
tors. eta vs tors. theta energy: -4.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -90.204510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.204510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.204510 (E_RNA)
where:
Base-Base interactions energy: -44.566
where: short stacking energy: -36.598
Base-Backbone interact. energy: -0.635
local terms energy: -45.002789
where:
bonds (distance) C4'-P energy: -11.283
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -6.655
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -5.724
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: 10, replica: 9
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -77.027736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.027736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.027736 (E_RNA)
where:
Base-Base interactions energy: -26.010
where: short stacking energy: -26.010
Base-Backbone interact. energy: -0.231
local terms energy: -50.786704
where:
bonds (distance) C4'-P energy: -10.953
bonds (distance) P-C4' energy: -13.721
flat angles C4'-P-C4' energy: -11.702
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -4.597
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: 1, replica: 8
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -225.266263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.266263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.266263 (E_RNA)
where:
Base-Base interactions energy: -144.145
where: short stacking energy: -64.902
Base-Backbone interact. energy: -0.554
local terms energy: -80.566825
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: -17.982
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: 10
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -229.422028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.422028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.422028 (E_RNA)
where:
Base-Base interactions energy: -149.065
where: short stacking energy: -85.071
Base-Backbone interact. energy: -1.413
local terms energy: -78.943515
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -13.560
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: -21.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -223.307287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.307287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.307287 (E_RNA)
where:
Base-Base interactions energy: -153.759
where: short stacking energy: -67.085
Base-Backbone interact. energy: -0.315
local terms energy: -69.234076
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -13.633
flat angles C4'-P-C4' energy: -12.859
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: -20.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -217.167324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.167324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.167324 (E_RNA)
where:
Base-Base interactions energy: -140.663
where: short stacking energy: -66.978
Base-Backbone interact. energy: -0.637
local terms energy: -75.867612
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -12.336
tors. eta vs tors. theta energy: -20.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -174.192389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.192389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.192389 (E_RNA)
where:
Base-Base interactions energy: -116.514
where: short stacking energy: -45.983
Base-Backbone interact. energy: -1.463
local terms energy: -56.215836
where:
bonds (distance) C4'-P energy: -10.389
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -7.878
tors. eta vs tors. theta energy: -11.760
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: 2
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -191.241317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.241317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.241317 (E_RNA)
where:
Base-Base interactions energy: -123.742
where: short stacking energy: -64.324
Base-Backbone interact. energy: -0.157
local terms energy: -67.342526
where:
bonds (distance) C4'-P energy: -11.086
bonds (distance) P-C4' energy: -8.355
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -13.367
tors. eta vs tors. theta energy: -19.200
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: 7, replica: 1
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -87.369772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.369772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.369772 (E_RNA)
where:
Base-Base interactions energy: -32.504
where: short stacking energy: -29.032
Base-Backbone interact. energy: -0.090
local terms energy: -54.775984
where:
bonds (distance) C4'-P energy: -9.822
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -8.299
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: 8, replica: 3
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -90.958171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.958171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.958171 (E_RNA)
where:
Base-Base interactions energy: -36.771
where: short stacking energy: -34.506
Base-Backbone interact. energy: -0.115
local terms energy: -54.071791
where:
bonds (distance) C4'-P energy: -11.922
bonds (distance) P-C4' energy: -18.709
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -4.091
tors. eta vs tors. theta energy: -4.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -78.094560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.094560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.094560 (E_RNA)
where:
Base-Base interactions energy: -27.221
where: short stacking energy: -24.847
Base-Backbone interact. energy: -0.047
local terms energy: -50.826678
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -10.803
flat angles P-C4'-P energy: -5.600
tors. eta vs tors. theta energy: -1.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -84.124159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.124159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.124159 (E_RNA)
where:
Base-Base interactions energy: -33.502
where: short stacking energy: -33.502
Base-Backbone interact. energy: -0.047
local terms energy: -50.574722
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -10.887
flat angles C4'-P-C4' energy: -10.368
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -7.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -226.827452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.827452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.827452 (E_RNA)
where:
Base-Base interactions energy: -148.662
where: short stacking energy: -73.327
Base-Backbone interact. energy: -0.399
local terms energy: -77.765815
where:
bonds (distance) C4'-P energy: -12.912
bonds (distance) P-C4' energy: -14.950
flat angles C4'-P-C4' energy: -17.798
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -20.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -228.136503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.136503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.136503 (E_RNA)
where:
Base-Base interactions energy: -145.892
where: short stacking energy: -72.322
Base-Backbone interact. energy: -0.000
local terms energy: -82.244835
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -22.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -224.189243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.189243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.189243 (E_RNA)
where:
Base-Base interactions energy: -146.020
where: short stacking energy: -70.676
Base-Backbone interact. energy: -0.004
local terms energy: -78.164761
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -19.890
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: 6
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -222.162631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.162631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.162631 (E_RNA)
where:
Base-Base interactions energy: -149.426
where: short stacking energy: -77.265
Base-Backbone interact. energy: -0.109
local terms energy: -72.627932
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -11.518
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -14.674
tors. eta vs tors. theta energy: -19.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -176.702793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.702793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.702793 (E_RNA)
where:
Base-Base interactions energy: -114.794
where: short stacking energy: -56.188
Base-Backbone interact. energy: -0.223
local terms energy: -61.685388
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -9.283
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: 2
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -194.774865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.774865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.774865 (E_RNA)
where:
Base-Base interactions energy: -128.831
where: short stacking energy: -62.641
Base-Backbone interact. energy: -1.626
local terms energy: -64.318160
where:
bonds (distance) C4'-P energy: -10.415
bonds (distance) P-C4' energy: -13.830
flat angles C4'-P-C4' energy: -16.894
flat angles P-C4'-P energy: -10.527
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: 7, replica: 1
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -86.781587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.781587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.781587 (E_RNA)
where:
Base-Base interactions energy: -38.452
where: short stacking energy: -29.913
Base-Backbone interact. energy: -0.488
local terms energy: -47.841380
where:
bonds (distance) C4'-P energy: -11.145
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -13.115
flat angles P-C4'-P energy: -3.375
tors. eta vs tors. theta energy: -4.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -89.207891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.207891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.207891 (E_RNA)
where:
Base-Base interactions energy: -31.946
where: short stacking energy: -31.946
Base-Backbone interact. energy: 0.109
local terms energy: -57.370938
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -6.634
tors. eta vs tors. theta energy: -6.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -87.414057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.414057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.414057 (E_RNA)
where:
Base-Base interactions energy: -33.016
where: short stacking energy: -33.216
Base-Backbone interact. energy: -0.012
local terms energy: -54.386417
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -12.587
flat angles C4'-P-C4' energy: -10.877
flat angles P-C4'-P energy: -8.381
tors. eta vs tors. theta energy: -10.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -79.743466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.743466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.743466 (E_RNA)
where:
Base-Base interactions energy: -23.731
where: short stacking energy: -23.415
Base-Backbone interact. energy: -0.415
local terms energy: -55.597151
where:
bonds (distance) C4'-P energy: -15.805
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -13.389
flat angles P-C4'-P energy: -4.844
tors. eta vs tors. theta energy: -6.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -231.253886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.253886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.253886 (E_RNA)
where:
Base-Base interactions energy: -152.419
where: short stacking energy: -75.944
Base-Backbone interact. energy: -0.739
local terms energy: -78.096261
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -21.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -225.481921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.481921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.481921 (E_RNA)
where:
Base-Base interactions energy: -152.759
where: short stacking energy: -73.697
Base-Backbone interact. energy: -0.003
local terms energy: -72.719067
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -19.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -221.524014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.524014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.524014 (E_RNA)
where:
Base-Base interactions energy: -143.953
where: short stacking energy: -70.998
Base-Backbone interact. energy: -0.144
local terms energy: -77.427368
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -13.910
tors. eta vs tors. theta energy: -21.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -218.983457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.983457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.983457 (E_RNA)
where:
Base-Base interactions energy: -149.979
where: short stacking energy: -69.262
Base-Backbone interact. energy: -0.294
local terms energy: -68.710609
where:
bonds (distance) C4'-P energy: -15.911
bonds (distance) P-C4' energy: -13.717
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -8.637
tors. eta vs tors. theta energy: -16.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -201.487210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.487210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.487210 (E_RNA)
where:
Base-Base interactions energy: -130.061
where: short stacking energy: -68.409
Base-Backbone interact. energy: -0.174
local terms energy: -71.252511
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -14.258
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -17.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -172.123983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.123983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.123983 (E_RNA)
where:
Base-Base interactions energy: -108.491
where: short stacking energy: -48.452
Base-Backbone interact. energy: 0.659
local terms energy: -64.291743
where:
bonds (distance) C4'-P energy: -14.375
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -13.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -93.287837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.287837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.287837 (E_RNA)
where:
Base-Base interactions energy: -38.534
where: short stacking energy: -35.195
Base-Backbone interact. energy: -0.201
local terms energy: -54.553563
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -11.604
flat angles P-C4'-P energy: -7.995
tors. eta vs tors. theta energy: -4.506
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: 1
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -104.189834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.189834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.189834 (E_RNA)
where:
Base-Base interactions energy: -49.631
where: short stacking energy: -49.631
Base-Backbone interact. energy: -0.003
local terms energy: -54.555706
where:
bonds (distance) C4'-P energy: -12.506
bonds (distance) P-C4' energy: -10.440
flat angles C4'-P-C4' energy: -13.028
flat angles P-C4'-P energy: -5.655
tors. eta vs tors. theta energy: -12.927
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: 9, replica: 5
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -78.323064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.323064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.323064 (E_RNA)
where:
Base-Base interactions energy: -25.410
where: short stacking energy: -25.410
Base-Backbone interact. energy: -0.095
local terms energy: -52.818299
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -4.749
tors. eta vs tors. theta energy: 0.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -72.607510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.607510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.607510 (E_RNA)
where:
Base-Base interactions energy: -23.558
where: short stacking energy: -20.442
Base-Backbone interact. energy: -0.178
local terms energy: -48.872153
where:
bonds (distance) C4'-P energy: -10.021
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -6.503
tors. eta vs tors. theta energy: -4.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -227.102221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.102221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.102221 (E_RNA)
where:
Base-Base interactions energy: -147.953
where: short stacking energy: -67.391
Base-Backbone interact. energy: -0.031
local terms energy: -79.117883
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -17.193
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -20.175
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: 8
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -226.077709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.077709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.077709 (E_RNA)
where:
Base-Base interactions energy: -153.024
where: short stacking energy: -77.495
Base-Backbone interact. energy: -0.007
local terms energy: -73.046756
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -12.064
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -11.165
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: 3, replica: 6
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -224.017856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.017856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.017856 (E_RNA)
where:
Base-Base interactions energy: -142.540
where: short stacking energy: -69.364
Base-Backbone interact. energy: -0.000
local terms energy: -81.477738
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -17.263
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -22.110
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: 10
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -223.107724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.107724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.107724 (E_RNA)
where:
Base-Base interactions energy: -146.191
where: short stacking energy: -74.770
Base-Backbone interact. energy: -0.002
local terms energy: -76.915174
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -20.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -200.739768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.739768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.739768 (E_RNA)
where:
Base-Base interactions energy: -131.924
where: short stacking energy: -68.731
Base-Backbone interact. energy: -0.001
local terms energy: -68.814636
where:
bonds (distance) C4'-P energy: -15.468
bonds (distance) P-C4' energy: -11.496
flat angles C4'-P-C4' energy: -13.326
flat angles P-C4'-P energy: -11.826
tors. eta vs tors. theta energy: -16.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -158.151985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.151985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.151985 (E_RNA)
where:
Base-Base interactions energy: -96.253
where: short stacking energy: -40.286
Base-Backbone interact. energy: -0.186
local terms energy: -61.712887
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -16.789
flat angles C4'-P-C4' energy: -10.587
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -9.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -103.169384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.169384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.169384 (E_RNA)
where:
Base-Base interactions energy: -43.723
where: short stacking energy: -41.457
Base-Backbone interact. energy: -0.089
local terms energy: -59.357589
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -10.037
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: 1
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -99.233250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.233250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.233250 (E_RNA)
where:
Base-Base interactions energy: -45.118
where: short stacking energy: -44.069
Base-Backbone interact. energy: -0.001
local terms energy: -54.114287
where:
bonds (distance) C4'-P energy: -12.500
bonds (distance) P-C4' energy: -9.427
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -7.794
tors. eta vs tors. theta energy: -10.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -81.036463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.036463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.036463 (E_RNA)
where:
Base-Base interactions energy: -26.754
where: short stacking energy: -25.747
Base-Backbone interact. energy: 0.725
local terms energy: -55.007641
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -6.551
tors. eta vs tors. theta energy: -4.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -75.854640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.854640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.854640 (E_RNA)
where:
Base-Base interactions energy: -23.017
where: short stacking energy: -21.947
Base-Backbone interact. energy: -0.226
local terms energy: -52.611041
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -14.641
flat angles P-C4'-P energy: -10.550
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: 7
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -223.941993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.941993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.941993 (E_RNA)
where:
Base-Base interactions energy: -142.204
where: short stacking energy: -71.289
Base-Backbone interact. energy: -0.379
local terms energy: -81.358742
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -13.441
tors. eta vs tors. theta energy: -19.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -232.123641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.123641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.123641 (E_RNA)
where:
Base-Base interactions energy: -147.822
where: short stacking energy: -74.718
Base-Backbone interact. energy: -0.020
local terms energy: -84.281617
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -24.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -224.950470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.950470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.950470 (E_RNA)
where:
Base-Base interactions energy: -145.971
where: short stacking energy: -68.994
Base-Backbone interact. energy: -0.603
local terms energy: -78.376615
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -21.375
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: 10
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -220.423211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.423211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.423211 (E_RNA)
where:
Base-Base interactions energy: -147.861
where: short stacking energy: -74.557
Base-Backbone interact. energy: -0.001
local terms energy: -72.560499
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -10.247
flat angles C4'-P-C4' energy: -16.946
flat angles P-C4'-P energy: -11.625
tors. eta vs tors. theta energy: -19.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -205.012012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.012012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.012012 (E_RNA)
where:
Base-Base interactions energy: -131.691
where: short stacking energy: -64.718
Base-Backbone interact. energy: -0.644
local terms energy: -72.677053
where:
bonds (distance) C4'-P energy: -10.082
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -21.535
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: 4
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -144.832041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.832041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.832041 (E_RNA)
where:
Base-Base interactions energy: -92.801
where: short stacking energy: -38.565
Base-Backbone interact. energy: -0.499
local terms energy: -51.532045
where:
bonds (distance) C4'-P energy: -10.405
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -3.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -93.705381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.705381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.705381 (E_RNA)
where:
Base-Base interactions energy: -42.649
where: short stacking energy: -41.382
Base-Backbone interact. energy: -0.333
local terms energy: -50.723219
where:
bonds (distance) C4'-P energy: -8.323
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -7.972
tors. eta vs tors. theta energy: -6.947
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: 9
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -81.252298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.252298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.252298 (E_RNA)
where:
Base-Base interactions energy: -33.209
where: short stacking energy: -20.677
Base-Backbone interact. energy: -0.166
local terms energy: -47.877454
where:
bonds (distance) C4'-P energy: -14.141
bonds (distance) P-C4' energy: -15.581
flat angles C4'-P-C4' energy: -13.487
flat angles P-C4'-P energy: -3.521
tors. eta vs tors. theta energy: -1.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -85.607264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.607264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.607264 (E_RNA)
where:
Base-Base interactions energy: -26.804
where: short stacking energy: -24.517
Base-Backbone interact. energy: -0.828
local terms energy: -57.974509
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -12.398
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -2.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -85.136440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.136440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.136440 (E_RNA)
where:
Base-Base interactions energy: -36.217
where: short stacking energy: -36.631
Base-Backbone interact. energy: -0.187
local terms energy: -48.732082
where:
bonds (distance) C4'-P energy: -6.738
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -7.805
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -8.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -230.460834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.460834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.460834 (E_RNA)
where:
Base-Base interactions energy: -148.518
where: short stacking energy: -82.366
Base-Backbone interact. energy: -0.000
local terms energy: -81.942666
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -16.847
flat angles P-C4'-P energy: -11.607
tors. eta vs tors. theta energy: -21.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -222.941323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.941323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.941323 (E_RNA)
where:
Base-Base interactions energy: -149.526
where: short stacking energy: -71.545
Base-Backbone interact. energy: -1.071
local terms energy: -72.344271
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: -20.441
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: 197
Temperature: 1.000000
Total energy: -219.460063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.460063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.460063 (E_RNA)
where:
Base-Base interactions energy: -149.584
where: short stacking energy: -63.392
Base-Backbone interact. energy: -0.503
local terms energy: -69.372733
where:
bonds (distance) C4'-P energy: -7.706
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -17.648
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: 2
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -225.787496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.787496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.787496 (E_RNA)
where:
Base-Base interactions energy: -148.297
where: short stacking energy: -71.336
Base-Backbone interact. energy: -0.001
local terms energy: -77.490041
where:
bonds (distance) C4'-P energy: -12.420
bonds (distance) P-C4' energy: -13.443
flat angles C4'-P-C4' energy: -18.920
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -20.473
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: 5, replica: 10
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -204.368867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.368867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.368867 (E_RNA)
where:
Base-Base interactions energy: -133.629
where: short stacking energy: -65.562
Base-Backbone interact. energy: -0.014
local terms energy: -70.725690
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -12.664
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -20.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -140.194318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.194318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.194318 (E_RNA)
where:
Base-Base interactions energy: -81.320
where: short stacking energy: -39.518
Base-Backbone interact. energy: -0.604
local terms energy: -58.270224
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: -7.688
tors. eta vs tors. theta energy: -5.018
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: 7, replica: 1
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -96.023030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.023030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.023030 (E_RNA)
where:
Base-Base interactions energy: -37.683
where: short stacking energy: -34.535
Base-Backbone interact. energy: -0.054
local terms energy: -58.286512
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -11.157
flat angles C4'-P-C4' energy: -12.284
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: -10.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -92.426024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.426024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.426024 (E_RNA)
where:
Base-Base interactions energy: -37.123
where: short stacking energy: -32.146
Base-Backbone interact. energy: -0.187
local terms energy: -55.116358
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -7.272
tors. eta vs tors. theta energy: -5.977
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: 197
Temperature: 1.300000
Total energy: -78.657949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.657949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.657949 (E_RNA)
where:
Base-Base interactions energy: -35.273
where: short stacking energy: -30.405
Base-Backbone interact. energy: -0.307
local terms energy: -43.077650
where:
bonds (distance) C4'-P energy: -10.910
bonds (distance) P-C4' energy: -16.027
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -1.285
tors. eta vs tors. theta energy: -0.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -81.973496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.973496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.973496 (E_RNA)
where:
Base-Base interactions energy: -31.201
where: short stacking energy: -17.501
Base-Backbone interact. energy: -0.226
local terms energy: -50.546644
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -9.857
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: 1.163
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: 8
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -224.844403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.844403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.844403 (E_RNA)
where:
Base-Base interactions energy: -149.027
where: short stacking energy: -64.698
Base-Backbone interact. energy: -0.107
local terms energy: -75.710515
where:
bonds (distance) C4'-P energy: -12.580
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -17.457
flat angles P-C4'-P energy: -11.105
tors. eta vs tors. theta energy: -16.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -213.100675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.100675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.100675 (E_RNA)
where:
Base-Base interactions energy: -140.441
where: short stacking energy: -72.820
Base-Backbone interact. energy: -0.367
local terms energy: -72.292846
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -17.610
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: -17.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -227.696231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.696231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.696231 (E_RNA)
where:
Base-Base interactions energy: -157.264
where: short stacking energy: -71.036
Base-Backbone interact. energy: -0.075
local terms energy: -70.357261
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -19.084
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: 2
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -216.893570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.893570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.893570 (E_RNA)
where:
Base-Base interactions energy: -146.373
where: short stacking energy: -71.546
Base-Backbone interact. energy: -0.191
local terms energy: -70.329504
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: -17.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -149.082197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.082197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.082197 (E_RNA)
where:
Base-Base interactions energy: -94.457
where: short stacking energy: -45.671
Base-Backbone interact. energy: -0.291
local terms energy: -54.333871
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -9.764
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -10.368
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: 6, replica: 10
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -204.355787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.355787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.355787 (E_RNA)
where:
Base-Base interactions energy: -135.885
where: short stacking energy: -69.997
Base-Backbone interact. energy: -0.001
local terms energy: -68.469284
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -9.092
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -13.488
tors. eta vs tors. theta energy: -18.512
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: 3
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -100.315219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.315219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.315219 (E_RNA)
where:
Base-Base interactions energy: -50.970
where: short stacking energy: -48.787
Base-Backbone interact. energy: -1.467
local terms energy: -47.878309
where:
bonds (distance) C4'-P energy: -8.898
bonds (distance) P-C4' energy: -11.959
flat angles C4'-P-C4' energy: -11.134
flat angles P-C4'-P energy: -3.458
tors. eta vs tors. theta energy: -12.429
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: 8, replica: 1
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -89.396086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.396086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.396086 (E_RNA)
where:
Base-Base interactions energy: -33.644
where: short stacking energy: -33.644
Base-Backbone interact. energy: -0.136
local terms energy: -55.616254
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -5.891
tors. eta vs tors. theta energy: -6.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -87.351978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.351978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.351978 (E_RNA)
where:
Base-Base interactions energy: -35.836
where: short stacking energy: -30.392
Base-Backbone interact. energy: -0.450
local terms energy: -51.065948
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -13.350
flat angles C4'-P-C4' energy: -13.291
flat angles P-C4'-P energy: -7.420
tors. eta vs tors. theta energy: -3.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -97.652168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.652168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.652168 (E_RNA)
where:
Base-Base interactions energy: -46.309
where: short stacking energy: -20.176
Base-Backbone interact. energy: -0.173
local terms energy: -51.170086
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -10.534
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: -1.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -223.017238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.017238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.017238 (E_RNA)
where:
Base-Base interactions energy: -143.898
where: short stacking energy: -72.102
Base-Backbone interact. energy: -0.294
local terms energy: -78.825246
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -21.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -236.734323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.734323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.734323 (E_RNA)
where:
Base-Base interactions energy: -158.923
where: short stacking energy: -76.023
Base-Backbone interact. energy: -0.418
local terms energy: -77.392898
where:
bonds (distance) C4'-P energy: -11.422
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -12.399
tors. eta vs tors. theta energy: -23.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -221.664159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.664159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.664159 (E_RNA)
where:
Base-Base interactions energy: -149.874
where: short stacking energy: -69.179
Base-Backbone interact. energy: -0.000
local terms energy: -71.789786
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -19.683
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: 2
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -215.075015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.075015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.075015 (E_RNA)
where:
Base-Base interactions energy: -133.999
where: short stacking energy: -69.146
Base-Backbone interact. energy: -0.646
local terms energy: -80.430417
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -16.271
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -11.850
tors. eta vs tors. theta energy: -23.010
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: 4
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -171.843526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.843526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.843526 (E_RNA)
where:
Base-Base interactions energy: -107.413
where: short stacking energy: -55.791
Base-Backbone interact. energy: -0.047
local terms energy: -64.383556
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -8.515
flat angles C4'-P-C4' energy: -16.696
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -11.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -209.667415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.667415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.667415 (E_RNA)
where:
Base-Base interactions energy: -132.521
where: short stacking energy: -61.865
Base-Backbone interact. energy: -0.658
local terms energy: -76.488752
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -12.734
tors. eta vs tors. theta energy: -18.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -100.807170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.807170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.807170 (E_RNA)
where:
Base-Base interactions energy: -42.804
where: short stacking energy: -42.804
Base-Backbone interact. energy: -0.039
local terms energy: -57.963865
where:
bonds (distance) C4'-P energy: -5.810
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: -12.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -100.856714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.856714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.856714 (E_RNA)
where:
Base-Base interactions energy: -41.213
where: short stacking energy: -41.213
Base-Backbone interact. energy: -0.293
local terms energy: -59.350039
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -9.136
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -11.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -81.110509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.110509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.110509 (E_RNA)
where:
Base-Base interactions energy: -33.098
where: short stacking energy: -26.008
Base-Backbone interact. energy: -0.146
local terms energy: -47.866529
where:
bonds (distance) C4'-P energy: -9.720
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -8.482
tors. eta vs tors. theta energy: -2.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -83.460168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.460168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.460168 (E_RNA)
where:
Base-Base interactions energy: -40.673
where: short stacking energy: -18.076
Base-Backbone interact. energy: -0.229
local terms energy: -42.557974
where:
bonds (distance) C4'-P energy: -12.758
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -10.793
flat angles P-C4'-P energy: -5.500
tors. eta vs tors. theta energy: -0.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -233.427138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.427138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.427138 (E_RNA)
where:
Base-Base interactions energy: -153.510
where: short stacking energy: -72.850
Base-Backbone interact. energy: -0.630
local terms energy: -79.286530
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -20.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -226.007736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.007736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.007736 (E_RNA)
where:
Base-Base interactions energy: -146.339
where: short stacking energy: -73.231
Base-Backbone interact. energy: -0.470
local terms energy: -79.198770
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -18.657
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -21.371
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: 7
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -215.033602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.033602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.033602 (E_RNA)
where:
Base-Base interactions energy: -138.654
where: short stacking energy: -62.728
Base-Backbone interact. energy: -0.090
local terms energy: -76.289528
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -19.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -219.152626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.152626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.152626 (E_RNA)
where:
Base-Base interactions energy: -141.414
where: short stacking energy: -71.801
Base-Backbone interact. energy: -0.030
local terms energy: -77.708969
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -12.355
tors. eta vs tors. theta energy: -18.179
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: 10
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -225.775815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.775815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.775815 (E_RNA)
where:
Base-Base interactions energy: -150.088
where: short stacking energy: -67.963
Base-Backbone interact. energy: -0.232
local terms energy: -75.455579
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -17.376
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: -14.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -176.098783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.098783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.098783 (E_RNA)
where:
Base-Base interactions energy: -104.257
where: short stacking energy: -54.756
Base-Backbone interact. energy: -2.177
local terms energy: -69.664601
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -10.903
flat angles C4'-P-C4' energy: -17.098
flat angles P-C4'-P energy: -8.047
tors. eta vs tors. theta energy: -18.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -84.210545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.210545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.210545 (E_RNA)
where:
Base-Base interactions energy: -33.117
where: short stacking energy: -33.117
Base-Backbone interact. energy: -0.114
local terms energy: -50.979878
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -14.928
flat angles C4'-P-C4' energy: -9.880
flat angles P-C4'-P energy: -4.206
tors. eta vs tors. theta energy: -8.526
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: 3
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -85.719278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.719278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.719278 (E_RNA)
where:
Base-Base interactions energy: -34.065
where: short stacking energy: -31.867
Base-Backbone interact. energy: -0.468
local terms energy: -51.186052
where:
bonds (distance) C4'-P energy: -6.808
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -12.595
tors. eta vs tors. theta energy: -3.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -85.867387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.867387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.867387 (E_RNA)
where:
Base-Base interactions energy: -41.207
where: short stacking energy: -21.395
Base-Backbone interact. energy: -0.070
local terms energy: -44.590914
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -5.905
tors. eta vs tors. theta energy: 6.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -71.772861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.772861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.772861 (E_RNA)
where:
Base-Base interactions energy: -26.974
where: short stacking energy: -20.926
Base-Backbone interact. energy: 0.092
local terms energy: -44.890596
where:
bonds (distance) C4'-P energy: -10.786
bonds (distance) P-C4' energy: -15.263
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: 0.106
tors. eta vs tors. theta energy: -1.870
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: 8
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -225.633522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.633522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.633522 (E_RNA)
where:
Base-Base interactions energy: -149.761
where: short stacking energy: -69.968
Base-Backbone interact. energy: 0.648
local terms energy: -76.520474
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -20.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -218.664830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.664830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.664830 (E_RNA)
where:
Base-Base interactions energy: -140.687
where: short stacking energy: -67.237
Base-Backbone interact. energy: -0.409
local terms energy: -77.568969
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -16.451
flat angles P-C4'-P energy: -12.300
tors. eta vs tors. theta energy: -19.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -218.454216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.454216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.454216 (E_RNA)
where:
Base-Base interactions energy: -143.447
where: short stacking energy: -64.890
Base-Backbone interact. energy: -0.090
local terms energy: -74.916675
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -16.732
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -16.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -214.322654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.322654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.322654 (E_RNA)
where:
Base-Base interactions energy: -138.360
where: short stacking energy: -66.773
Base-Backbone interact. energy: -0.002
local terms energy: -75.960297
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -12.513
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -20.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -214.115786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.115786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.115786 (E_RNA)
where:
Base-Base interactions energy: -132.561
where: short stacking energy: -68.018
Base-Backbone interact. energy: -0.025
local terms energy: -81.529663
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -15.932
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -11.696
tors. eta vs tors. theta energy: -22.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -180.968569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.968569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.968569 (E_RNA)
where:
Base-Base interactions energy: -115.359
where: short stacking energy: -65.713
Base-Backbone interact. energy: -0.032
local terms energy: -65.577539
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -4.165
tors. eta vs tors. theta energy: -18.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -100.498658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.498658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.498658 (E_RNA)
where:
Base-Base interactions energy: -49.669
where: short stacking energy: -45.454
Base-Backbone interact. energy: 0.587
local terms energy: -51.417021
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -13.164
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -0.879
tors. eta vs tors. theta energy: -6.992
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: 3
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -95.985773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.985773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.985773 (E_RNA)
where:
Base-Base interactions energy: -54.776
where: short stacking energy: -31.460
Base-Backbone interact. energy: -0.019
local terms energy: -41.190588
where:
bonds (distance) C4'-P energy: -10.639
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -6.969
flat angles P-C4'-P energy: -2.151
tors. eta vs tors. theta energy: -7.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -89.877680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.877680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.877680 (E_RNA)
where:
Base-Base interactions energy: -41.547
where: short stacking energy: -30.129
Base-Backbone interact. energy: -0.340
local terms energy: -47.990814
where:
bonds (distance) C4'-P energy: -14.491
bonds (distance) P-C4' energy: -13.130
flat angles C4'-P-C4' energy: -8.861
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: -3.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -85.521704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.521704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.521704 (E_RNA)
where:
Base-Base interactions energy: -34.693
where: short stacking energy: -29.213
Base-Backbone interact. energy: -0.057
local terms energy: -50.771668
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -6.396
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -4.731
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: 8
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -229.106965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.106965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.106965 (E_RNA)
where:
Base-Base interactions energy: -154.561
where: short stacking energy: -70.926
Base-Backbone interact. energy: -0.019
local terms energy: -74.527000
where:
bonds (distance) C4'-P energy: -16.759
bonds (distance) P-C4' energy: -15.820
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -16.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -209.346071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.346071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.346071 (E_RNA)
where:
Base-Base interactions energy: -145.489
where: short stacking energy: -63.482
Base-Backbone interact. energy: 2.074
local terms energy: -65.930734
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -12.419
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: 202
Temperature: 1.000000
Total energy: -228.988188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.988188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.988188 (E_RNA)
where:
Base-Base interactions energy: -152.639
where: short stacking energy: -69.385
Base-Backbone interact. energy: -0.103
local terms energy: -76.245760
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -17.546
flat angles C4'-P-C4' energy: -16.252
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -17.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -195.107012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.107012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.107012 (E_RNA)
where:
Base-Base interactions energy: -127.953
where: short stacking energy: -59.957
Base-Backbone interact. energy: -0.224
local terms energy: -66.929668
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -12.190
flat angles P-C4'-P energy: -13.024
tors. eta vs tors. theta energy: -12.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -214.369513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.369513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.369513 (E_RNA)
where:
Base-Base interactions energy: -140.609
where: short stacking energy: -68.498
Base-Backbone interact. energy: -0.129
local terms energy: -73.631113
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -17.373
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -13.691
tors. eta vs tors. theta energy: -16.798
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: 4
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -177.947306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.947306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.947306 (E_RNA)
where:
Base-Base interactions energy: -112.998
where: short stacking energy: -55.045
Base-Backbone interact. energy: -0.007
local terms energy: -64.942769
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -11.686
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: 202
Temperature: 1.200000
Total energy: -98.035027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.035027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.035027 (E_RNA)
where:
Base-Base interactions energy: -43.969
where: short stacking energy: -43.969
Base-Backbone interact. energy: -0.037
local terms energy: -54.029092
where:
bonds (distance) C4'-P energy: -7.929
bonds (distance) P-C4' energy: -11.747
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -9.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -100.117153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.117153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.117153 (E_RNA)
where:
Base-Base interactions energy: -38.533
where: short stacking energy: -38.533
Base-Backbone interact. energy: -0.443
local terms energy: -61.140534
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -4.997
tors. eta vs tors. theta energy: -10.064
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: 9, replica: 9
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -81.086792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.086792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.086792 (E_RNA)
where:
Base-Base interactions energy: -38.945
where: short stacking energy: -23.716
Base-Backbone interact. energy: -0.114
local terms energy: -42.027011
where:
bonds (distance) C4'-P energy: -7.528
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -9.517
flat angles P-C4'-P energy: -4.478
tors. eta vs tors. theta energy: -6.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -77.784939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.784939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.784939 (E_RNA)
where:
Base-Base interactions energy: -26.361
where: short stacking energy: -16.652
Base-Backbone interact. energy: -0.834
local terms energy: -50.590000
where:
bonds (distance) C4'-P energy: -11.164
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -11.313
flat angles P-C4'-P energy: -5.923
tors. eta vs tors. theta energy: -4.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -230.966014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.966014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.966014 (E_RNA)
where:
Base-Base interactions energy: -158.250
where: short stacking energy: -76.136
Base-Backbone interact. energy: -0.004
local terms energy: -72.712269
where:
bonds (distance) C4'-P energy: -9.589
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -16.126
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -23.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -231.524824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.524824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.524824 (E_RNA)
where:
Base-Base interactions energy: -149.680
where: short stacking energy: -72.309
Base-Backbone interact. energy: -0.008
local terms energy: -81.837161
where:
bonds (distance) C4'-P energy: -15.742
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -16.859
flat angles P-C4'-P energy: -12.884
tors. eta vs tors. theta energy: -23.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -216.162436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.162436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.162436 (E_RNA)
where:
Base-Base interactions energy: -146.101
where: short stacking energy: -67.056
Base-Backbone interact. energy: 0.319
local terms energy: -70.379651
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -16.999
flat angles C4'-P-C4' energy: -16.066
flat angles P-C4'-P energy: -9.436
tors. eta vs tors. theta energy: -15.106
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: 2
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -208.864822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.864822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.864822 (E_RNA)
where:
Base-Base interactions energy: -135.138
where: short stacking energy: -67.345
Base-Backbone interact. energy: -0.166
local terms energy: -73.561009
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -16.797
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -16.821
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: 10
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -190.149943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.149943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.149943 (E_RNA)
where:
Base-Base interactions energy: -133.967
where: short stacking energy: -51.820
Base-Backbone interact. energy: -0.172
local terms energy: -56.010539
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -6.974
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -10.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -156.557130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.557130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.557130 (E_RNA)
where:
Base-Base interactions energy: -102.918
where: short stacking energy: -56.300
Base-Backbone interact. energy: -0.067
local terms energy: -53.571606
where:
bonds (distance) C4'-P energy: -8.241
bonds (distance) P-C4' energy: -15.661
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: -8.018
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: 7, replica: 3
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -88.651978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.651978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.651978 (E_RNA)
where:
Base-Base interactions energy: -40.485
where: short stacking energy: -20.932
Base-Backbone interact. energy: 0.818
local terms energy: -48.984201
where:
bonds (distance) C4'-P energy: -16.975
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -10.976
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: 1.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -91.656276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.656276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.656276 (E_RNA)
where:
Base-Base interactions energy: -41.194
where: short stacking energy: -37.884
Base-Backbone interact. energy: -0.411
local terms energy: -50.051883
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -9.673
flat angles C4'-P-C4' energy: -12.763
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: -4.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -82.830513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.830513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.830513 (E_RNA)
where:
Base-Base interactions energy: -35.832
where: short stacking energy: -15.536
Base-Backbone interact. energy: -0.119
local terms energy: -46.879337
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -12.396
flat angles P-C4'-P energy: -5.755
tors. eta vs tors. theta energy: 0.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -71.897370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.897370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.897370 (E_RNA)
where:
Base-Base interactions energy: -16.420
where: short stacking energy: -15.157
Base-Backbone interact. energy: -0.159
local terms energy: -55.319154
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -16.999
flat angles C4'-P-C4' energy: -10.539
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -2.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -229.333879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.333879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.333879 (E_RNA)
where:
Base-Base interactions energy: -150.258
where: short stacking energy: -74.169
Base-Backbone interact. energy: -0.276
local terms energy: -78.799785
where:
bonds (distance) C4'-P energy: -13.025
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -12.245
tors. eta vs tors. theta energy: -20.835
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: 204
Temperature: 0.950000
Total energy: -224.382544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.382544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.382544 (E_RNA)
where:
Base-Base interactions energy: -142.963
where: short stacking energy: -72.724
Base-Backbone interact. energy: -0.669
local terms energy: -80.751151
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -14.828
tors. eta vs tors. theta energy: -21.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -226.763823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.763823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.763823 (E_RNA)
where:
Base-Base interactions energy: -149.681
where: short stacking energy: -68.324
Base-Backbone interact. energy: -0.002
local terms energy: -77.081070
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -8.016
tors. eta vs tors. theta energy: -19.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -219.609496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.609496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.609496 (E_RNA)
where:
Base-Base interactions energy: -149.852
where: short stacking energy: -67.351
Base-Backbone interact. energy: -0.005
local terms energy: -69.752969
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -16.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -198.319014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.319014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.319014 (E_RNA)
where:
Base-Base interactions energy: -129.677
where: short stacking energy: -66.380
Base-Backbone interact. energy: -0.630
local terms energy: -68.011968
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -14.459
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -15.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -168.852371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.852371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.852371 (E_RNA)
where:
Base-Base interactions energy: -99.173
where: short stacking energy: -54.872
Base-Backbone interact. energy: -1.019
local terms energy: -68.661107
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -16.212
flat angles C4'-P-C4' energy: -9.940
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -16.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -99.031463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.031463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.031463 (E_RNA)
where:
Base-Base interactions energy: -36.456
where: short stacking energy: -36.456
Base-Backbone interact. energy: -0.159
local terms energy: -62.416698
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -17.395
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -4.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -85.424732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.424732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.424732 (E_RNA)
where:
Base-Base interactions energy: -38.582
where: short stacking energy: -29.676
Base-Backbone interact. energy: -0.821
local terms energy: -46.021454
where:
bonds (distance) C4'-P energy: -14.481
bonds (distance) P-C4' energy: -12.390
flat angles C4'-P-C4' energy: -11.284
flat angles P-C4'-P energy: -7.148
tors. eta vs tors. theta energy: -0.719
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: 5
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -77.004970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.004970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.004970 (E_RNA)
where:
Base-Base interactions energy: -33.721
where: short stacking energy: -22.649
Base-Backbone interact. energy: -0.064
local terms energy: -43.219643
where:
bonds (distance) C4'-P energy: -12.656
bonds (distance) P-C4' energy: -10.838
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -4.616
tors. eta vs tors. theta energy: -1.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -75.942810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.942810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.942810 (E_RNA)
where:
Base-Base interactions energy: -27.223
where: short stacking energy: -24.796
Base-Backbone interact. energy: -0.201
local terms energy: -48.518510
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -12.031
flat angles P-C4'-P energy: -11.771
tors. eta vs tors. theta energy: 0.452
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: 7
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -228.816340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.816340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.816340 (E_RNA)
where:
Base-Base interactions energy: -154.895
where: short stacking energy: -73.072
Base-Backbone interact. energy: -0.147
local terms energy: -73.774349
where:
bonds (distance) C4'-P energy: -11.055
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -17.363
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: -18.711
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: 2, replica: 6
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -222.981007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.981007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.981007 (E_RNA)
where:
Base-Base interactions energy: -148.369
where: short stacking energy: -78.890
Base-Backbone interact. energy: -0.402
local terms energy: -74.209828
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: -21.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -221.731790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.731790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.731790 (E_RNA)
where:
Base-Base interactions energy: -146.934
where: short stacking energy: -63.223
Base-Backbone interact. energy: -0.050
local terms energy: -74.746981
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: -12.432
tors. eta vs tors. theta energy: -19.716
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: 2
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -215.914172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.914172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.914172 (E_RNA)
where:
Base-Base interactions energy: -149.870
where: short stacking energy: -71.051
Base-Backbone interact. energy: -0.020
local terms energy: -66.024156
where:
bonds (distance) C4'-P energy: -7.757
bonds (distance) P-C4' energy: -12.432
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -17.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -199.014878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.014878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.014878 (E_RNA)
where:
Base-Base interactions energy: -132.434
where: short stacking energy: -72.026
Base-Backbone interact. energy: -0.597
local terms energy: -65.983961
where:
bonds (distance) C4'-P energy: -10.854
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -12.387
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -17.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -95.560810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.560810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.560810 (E_RNA)
where:
Base-Base interactions energy: -43.816
where: short stacking energy: -30.621
Base-Backbone interact. energy: -0.066
local terms energy: -51.678635
where:
bonds (distance) C4'-P energy: -10.249
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -8.073
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: 7, replica: 4
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -166.116179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.116179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.116179 (E_RNA)
where:
Base-Base interactions energy: -108.854
where: short stacking energy: -51.083
Base-Backbone interact. energy: -0.404
local terms energy: -56.858064
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -9.200
flat angles C4'-P-C4' energy: -9.100
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -17.797
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: 205
Temperature: 1.250000
Total energy: -92.435674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.435674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.435674 (E_RNA)
where:
Base-Base interactions energy: -51.610
where: short stacking energy: -32.740
Base-Backbone interact. energy: 0.766
local terms energy: -41.591145
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -7.929
flat angles P-C4'-P energy: -6.281
tors. eta vs tors. theta energy: -0.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -90.940650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.940650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.940650 (E_RNA)
where:
Base-Base interactions energy: -30.967
where: short stacking energy: -28.458
Base-Backbone interact. energy: -0.133
local terms energy: -59.840722
where:
bonds (distance) C4'-P energy: -14.436
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -12.053
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -7.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -70.158541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.158541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.158541 (E_RNA)
where:
Base-Base interactions energy: -28.483
where: short stacking energy: -21.431
Base-Backbone interact. energy: -0.095
local terms energy: -41.580282
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -10.382
flat angles P-C4'-P energy: -5.716
tors. eta vs tors. theta energy: 2.374
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: 1, replica: 6
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -222.802709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.802709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.802709 (E_RNA)
where:
Base-Base interactions energy: -144.474
where: short stacking energy: -71.651
Base-Backbone interact. energy: -0.405
local terms energy: -77.923181
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -17.570
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: 7
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -223.348666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.348666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.348666 (E_RNA)
where:
Base-Base interactions energy: -149.368
where: short stacking energy: -70.590
Base-Backbone interact. energy: -0.284
local terms energy: -73.696592
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -19.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -217.641298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.641298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.641298 (E_RNA)
where:
Base-Base interactions energy: -144.817
where: short stacking energy: -67.708
Base-Backbone interact. energy: -0.141
local terms energy: -72.683784
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -19.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -218.380769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.380769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.380769 (E_RNA)
where:
Base-Base interactions energy: -142.600
where: short stacking energy: -77.521
Base-Backbone interact. energy: -1.099
local terms energy: -74.681803
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -17.218
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -20.848
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: 10
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -202.638922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.638922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.638922 (E_RNA)
where:
Base-Base interactions energy: -133.751
where: short stacking energy: -64.047
Base-Backbone interact. energy: -0.305
local terms energy: -68.583615
where:
bonds (distance) C4'-P energy: -10.331
bonds (distance) P-C4' energy: -12.776
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -19.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -99.144372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.144372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.144372 (E_RNA)
where:
Base-Base interactions energy: -43.795
where: short stacking energy: -43.795
Base-Backbone interact. energy: -0.020
local terms energy: -55.329154
where:
bonds (distance) C4'-P energy: -9.602
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -6.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -165.664399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.664399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.664399 (E_RNA)
where:
Base-Base interactions energy: -103.265
where: short stacking energy: -50.775
Base-Backbone interact. energy: -0.070
local terms energy: -62.329877
where:
bonds (distance) C4'-P energy: -14.254
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -10.467
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -10.856
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: 3
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -84.456054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.456054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.456054 (E_RNA)
where:
Base-Base interactions energy: -35.467
where: short stacking energy: -32.132
Base-Backbone interact. energy: -0.441
local terms energy: -48.547729
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -8.881
flat angles C4'-P-C4' energy: -7.974
flat angles P-C4'-P energy: -11.556
tors. eta vs tors. theta energy: -5.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -91.836213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.836213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.836213 (E_RNA)
where:
Base-Base interactions energy: -50.914
where: short stacking energy: -21.898
Base-Backbone interact. energy: -0.572
local terms energy: -40.349580
where:
bonds (distance) C4'-P energy: -8.858
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -14.112
flat angles P-C4'-P energy: -3.150
tors. eta vs tors. theta energy: -0.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -96.025068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.025068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.025068 (E_RNA)
where:
Base-Base interactions energy: -42.392
where: short stacking energy: -34.409
Base-Backbone interact. energy: 2.488
local terms energy: -56.120964
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -12.801
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: -5.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -235.717303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.717303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.717303 (E_RNA)
where:
Base-Base interactions energy: -153.593
where: short stacking energy: -82.040
Base-Backbone interact. energy: -0.065
local terms energy: -82.059652
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -15.158
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -13.414
tors. eta vs tors. theta energy: -20.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -221.899575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.899575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.899575 (E_RNA)
where:
Base-Base interactions energy: -141.954
where: short stacking energy: -70.203
Base-Backbone interact. energy: -0.007
local terms energy: -79.938081
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -10.314
tors. eta vs tors. theta energy: -20.625
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: 8
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -221.638204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.638204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.638204 (E_RNA)
where:
Base-Base interactions energy: -142.169
where: short stacking energy: -69.719
Base-Backbone interact. energy: -0.011
local terms energy: -79.458598
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -17.680
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: -20.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -207.894433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.894433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.894433 (E_RNA)
where:
Base-Base interactions energy: -133.643
where: short stacking energy: -66.122
Base-Backbone interact. energy: -0.035
local terms energy: -74.216393
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -18.354
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -17.897
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: 2
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -207.733618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.733618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.733618 (E_RNA)
where:
Base-Base interactions energy: -143.209
where: short stacking energy: -65.514
Base-Backbone interact. energy: -0.001
local terms energy: -64.523831
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -10.051
flat angles P-C4'-P energy: -8.613
tors. eta vs tors. theta energy: -19.690
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: 6, replica: 4
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -178.177059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.177059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.177059 (E_RNA)
where:
Base-Base interactions energy: -110.002
where: short stacking energy: -47.416
Base-Backbone interact. energy: -0.086
local terms energy: -68.089392
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -10.645
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: 207
Temperature: 1.200000
Total energy: -86.363800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.363800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.363800 (E_RNA)
where:
Base-Base interactions energy: -33.659
where: short stacking energy: -27.016
Base-Backbone interact. energy: -0.198
local terms energy: -52.507504
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -7.044
tors. eta vs tors. theta energy: -0.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -88.132422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.132422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.132422 (E_RNA)
where:
Base-Base interactions energy: -36.631
where: short stacking energy: -36.269
Base-Backbone interact. energy: -0.695
local terms energy: -50.806179
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -11.492
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -3.619
tors. eta vs tors. theta energy: -6.357
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: 3
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -116.065567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.065567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.065567 (E_RNA)
where:
Base-Base interactions energy: -70.284
where: short stacking energy: -36.215
Base-Backbone interact. energy: -0.535
local terms energy: -45.247302
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -6.930
flat angles P-C4'-P energy: -6.156
tors. eta vs tors. theta energy: -5.073
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: 10, replica: 5
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -96.839995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.839995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.839995 (E_RNA)
where:
Base-Base interactions energy: -41.831
where: short stacking energy: -29.804
Base-Backbone interact. energy: -0.683
local terms energy: -54.325876
where:
bonds (distance) C4'-P energy: -10.541
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -8.451
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: 1, replica: 6
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -223.520328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.520328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.520328 (E_RNA)
where:
Base-Base interactions energy: -150.216
where: short stacking energy: -74.613
Base-Backbone interact. energy: -0.122
local terms energy: -73.181948
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -8.431
tors. eta vs tors. theta energy: -17.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -220.264357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.264357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.264357 (E_RNA)
where:
Base-Base interactions energy: -148.192
where: short stacking energy: -69.490
Base-Backbone interact. energy: -0.000
local terms energy: -72.072482
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -15.459
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: 10
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -212.358959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.358959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.358959 (E_RNA)
where:
Base-Base interactions energy: -138.182
where: short stacking energy: -67.776
Base-Backbone interact. energy: -0.575
local terms energy: -73.601643
where:
bonds (distance) C4'-P energy: -8.245
bonds (distance) P-C4' energy: -17.402
flat angles C4'-P-C4' energy: -16.219
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -18.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -223.339263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.339263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.339263 (E_RNA)
where:
Base-Base interactions energy: -143.347
where: short stacking energy: -70.115
Base-Backbone interact. energy: -0.243
local terms energy: -79.749138
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -12.216
tors. eta vs tors. theta energy: -18.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -201.401059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.401059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.401059 (E_RNA)
where:
Base-Base interactions energy: -128.778
where: short stacking energy: -52.785
Base-Backbone interact. energy: -1.360
local terms energy: -71.263186
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -12.776
tors. eta vs tors. theta energy: -14.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -179.263949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.263949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.263949 (E_RNA)
where:
Base-Base interactions energy: -117.015
where: short stacking energy: -53.095
Base-Backbone interact. energy: 0.089
local terms energy: -62.338101
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -14.509
flat angles C4'-P-C4' energy: -12.196
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -14.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -95.315216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.315216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.315216 (E_RNA)
where:
Base-Base interactions energy: -47.094
where: short stacking energy: -47.094
Base-Backbone interact. energy: -0.248
local terms energy: -47.973041
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -11.915
flat angles C4'-P-C4' energy: -4.570
flat angles P-C4'-P energy: -6.962
tors. eta vs tors. theta energy: -9.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -81.087710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.087710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.087710 (E_RNA)
where:
Base-Base interactions energy: -33.386
where: short stacking energy: -27.013
Base-Backbone interact. energy: -0.284
local terms energy: -47.417930
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -10.461
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -0.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -113.079440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.079440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.079440 (E_RNA)
where:
Base-Base interactions energy: -74.270
where: short stacking energy: -25.466
Base-Backbone interact. energy: -0.364
local terms energy: -38.445677
where:
bonds (distance) C4'-P energy: -11.123
bonds (distance) P-C4' energy: -13.104
flat angles C4'-P-C4' energy: -7.650
flat angles P-C4'-P energy: -6.980
tors. eta vs tors. theta energy: 0.410
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: 5
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -91.490383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.490383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.490383 (E_RNA)
where:
Base-Base interactions energy: -42.172
where: short stacking energy: -18.436
Base-Backbone interact. energy: -0.389
local terms energy: -48.929614
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -12.612
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -0.867
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: 1, replica: 6
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -223.925277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.925277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.925277 (E_RNA)
where:
Base-Base interactions energy: -147.192
where: short stacking energy: -73.422
Base-Backbone interact. energy: -0.186
local terms energy: -76.546693
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -17.395
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -19.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -216.299692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.299692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.299692 (E_RNA)
where:
Base-Base interactions energy: -143.339
where: short stacking energy: -69.904
Base-Backbone interact. energy: -0.092
local terms energy: -72.868633
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -8.803
tors. eta vs tors. theta energy: -18.977
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: 7
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -220.618830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.618830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.618830 (E_RNA)
where:
Base-Base interactions energy: -142.227
where: short stacking energy: -70.474
Base-Backbone interact. energy: -0.609
local terms energy: -77.782002
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -14.584
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -20.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -215.611229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.611229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.611229 (E_RNA)
where:
Base-Base interactions energy: -143.870
where: short stacking energy: -65.771
Base-Backbone interact. energy: -0.002
local terms energy: -71.739669
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -11.821
flat angles C4'-P-C4' energy: -17.589
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -18.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -203.745349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.745349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.745349 (E_RNA)
where:
Base-Base interactions energy: -133.352
where: short stacking energy: -59.627
Base-Backbone interact. energy: -0.366
local terms energy: -70.027403
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -12.646
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: 6, replica: 4
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -164.143767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.143767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.143767 (E_RNA)
where:
Base-Base interactions energy: -100.716
where: short stacking energy: -48.107
Base-Backbone interact. energy: -0.122
local terms energy: -63.306126
where:
bonds (distance) C4'-P energy: -10.617
bonds (distance) P-C4' energy: -11.497
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -13.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -105.416960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.416960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.416960 (E_RNA)
where:
Base-Base interactions energy: -45.685
where: short stacking energy: -44.952
Base-Backbone interact. energy: 0.566
local terms energy: -60.297620
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -9.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -89.946010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.946010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.946010 (E_RNA)
where:
Base-Base interactions energy: -41.061
where: short stacking energy: -31.852
Base-Backbone interact. energy: -0.191
local terms energy: -48.693288
where:
bonds (distance) C4'-P energy: -12.590
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -8.188
tors. eta vs tors. theta energy: -2.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -82.593464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.593464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.593464 (E_RNA)
where:
Base-Base interactions energy: -22.588
where: short stacking energy: -22.588
Base-Backbone interact. energy: -0.193
local terms energy: -59.813003
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -16.992
flat angles P-C4'-P energy: -9.567
tors. eta vs tors. theta energy: -4.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -89.426274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.426274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.426274 (E_RNA)
where:
Base-Base interactions energy: -39.610
where: short stacking energy: -25.386
Base-Backbone interact. energy: -0.781
local terms energy: -49.035878
where:
bonds (distance) C4'-P energy: -12.503
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -4.078
tors. eta vs tors. theta energy: -3.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -231.299756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.299756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.299756 (E_RNA)
where:
Base-Base interactions energy: -150.788
where: short stacking energy: -73.811
Base-Backbone interact. energy: -0.009
local terms energy: -80.501858
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -12.182
tors. eta vs tors. theta energy: -20.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -223.614625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.614625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.614625 (E_RNA)
where:
Base-Base interactions energy: -149.834
where: short stacking energy: -70.596
Base-Backbone interact. energy: -0.107
local terms energy: -73.673707
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -4.580
tors. eta vs tors. theta energy: -21.151
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: 210
Temperature: 1.000000
Total energy: -229.135603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.135603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.135603 (E_RNA)
where:
Base-Base interactions energy: -153.230
where: short stacking energy: -79.820
Base-Backbone interact. energy: -0.039
local terms energy: -75.866947
where:
bonds (distance) C4'-P energy: -11.185
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -13.025
tors. eta vs tors. theta energy: -23.023
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: 2
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -212.966328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.966328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.966328 (E_RNA)
where:
Base-Base interactions energy: -145.850
where: short stacking energy: -67.452
Base-Backbone interact. energy: -0.000
local terms energy: -67.115938
where:
bonds (distance) C4'-P energy: -10.171
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -19.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -210.695893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.695893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.695893 (E_RNA)
where:
Base-Base interactions energy: -136.946
where: short stacking energy: -69.954
Base-Backbone interact. energy: -0.009
local terms energy: -73.741238
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -13.869
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -17.837
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: 4
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -169.034182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.034182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.034182 (E_RNA)
where:
Base-Base interactions energy: -111.835
where: short stacking energy: -57.890
Base-Backbone interact. energy: -0.042
local terms energy: -57.157486
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -8.927
flat angles C4'-P-C4' energy: -11.657
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: -13.209
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: 210
Temperature: 1.200000
Total energy: -172.842511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.842511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.842511 (E_RNA)
where:
Base-Base interactions energy: -113.561
where: short stacking energy: -58.778
Base-Backbone interact. energy: -0.158
local terms energy: -59.123437
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -6.944
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: -13.671
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: 1
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -91.716808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.716808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.716808 (E_RNA)
where:
Base-Base interactions energy: -32.870
where: short stacking energy: -31.682
Base-Backbone interact. energy: -0.000
local terms energy: -58.846470
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -14.742
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -7.363
tors. eta vs tors. theta energy: -9.373
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: 5
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -115.646073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.646073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.646073 (E_RNA)
where:
Base-Base interactions energy: -59.250
where: short stacking energy: -38.960
Base-Backbone interact. energy: -0.304
local terms energy: -56.091245
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -11.917
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -7.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -77.658734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.658734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.658734 (E_RNA)
where:
Base-Base interactions energy: -26.790
where: short stacking energy: -26.890
Base-Backbone interact. energy: -0.207
local terms energy: -50.661093
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -15.390
flat angles C4'-P-C4' energy: -9.735
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -4.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -232.184828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.184828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.184828 (E_RNA)
where:
Base-Base interactions energy: -159.117
where: short stacking energy: -76.533
Base-Backbone interact. energy: -0.057
local terms energy: -73.010792
where:
bonds (distance) C4'-P energy: -11.270
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -17.682
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -19.298
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: 7
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -228.551462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.551462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.551462 (E_RNA)
where:
Base-Base interactions energy: -151.808
where: short stacking energy: -71.583
Base-Backbone interact. energy: -0.158
local terms energy: -76.585555
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -17.398
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -21.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -224.137551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.137551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.137551 (E_RNA)
where:
Base-Base interactions energy: -144.919
where: short stacking energy: -75.788
Base-Backbone interact. energy: -0.380
local terms energy: -78.838748
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -13.508
tors. eta vs tors. theta energy: -21.107
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: 8
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -212.997738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.997738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.997738 (E_RNA)
where:
Base-Base interactions energy: -141.224
where: short stacking energy: -59.762
Base-Backbone interact. energy: -0.281
local terms energy: -71.493328
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -12.722
tors. eta vs tors. theta energy: -17.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -202.666175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.666175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.666175 (E_RNA)
where:
Base-Base interactions energy: -134.923
where: short stacking energy: -64.162
Base-Backbone interact. energy: -0.389
local terms energy: -67.353415
where:
bonds (distance) C4'-P energy: -11.939
bonds (distance) P-C4' energy: -12.772
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -15.200
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: 211
Temperature: 1.150000
Total energy: -201.090437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.090437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.090437 (E_RNA)
where:
Base-Base interactions energy: -130.461
where: short stacking energy: -64.199
Base-Backbone interact. energy: -0.015
local terms energy: -70.613699
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -11.163
flat angles C4'-P-C4' energy: -16.992
flat angles P-C4'-P energy: -9.317
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: 7, replica: 4
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -176.290801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.290801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.290801 (E_RNA)
where:
Base-Base interactions energy: -110.967
where: short stacking energy: -52.799
Base-Backbone interact. energy: -0.109
local terms energy: -65.214530
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -10.469
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -12.636
tors. eta vs tors. theta energy: -15.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -92.069856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.069856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.069856 (E_RNA)
where:
Base-Base interactions energy: -44.755
where: short stacking energy: -36.925
Base-Backbone interact. energy: -0.026
local terms energy: -47.288474
where:
bonds (distance) C4'-P energy: -12.021
bonds (distance) P-C4' energy: -12.053
flat angles C4'-P-C4' energy: -10.789
flat angles P-C4'-P energy: -7.036
tors. eta vs tors. theta energy: -5.389
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: 1
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -81.930619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.930619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.930619 (E_RNA)
where:
Base-Base interactions energy: -29.617
where: short stacking energy: -28.623
Base-Backbone interact. energy: -0.162
local terms energy: -52.151891
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -12.759
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -2.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -73.554403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.554403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.554403 (E_RNA)
where:
Base-Base interactions energy: -25.070
where: short stacking energy: -25.070
Base-Backbone interact. energy: 1.832
local terms energy: -50.315788
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -11.033
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -3.749
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: 6
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -235.649677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.649677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.649677 (E_RNA)
where:
Base-Base interactions energy: -159.324
where: short stacking energy: -76.167
Base-Backbone interact. energy: -0.031
local terms energy: -76.294958
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -17.036
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -19.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -224.807551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.807551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.807551 (E_RNA)
where:
Base-Base interactions energy: -151.354
where: short stacking energy: -76.376
Base-Backbone interact. energy: -0.002
local terms energy: -73.451878
where:
bonds (distance) C4'-P energy: -9.891
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -22.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -220.568328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.568328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.568328 (E_RNA)
where:
Base-Base interactions energy: -145.923
where: short stacking energy: -68.216
Base-Backbone interact. energy: -0.002
local terms energy: -74.643703
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -11.516
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -19.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -204.324068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.324068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.324068 (E_RNA)
where:
Base-Base interactions energy: -129.678
where: short stacking energy: -58.285
Base-Backbone interact. energy: -0.287
local terms energy: -74.358796
where:
bonds (distance) C4'-P energy: -16.674
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -15.020
flat angles P-C4'-P energy: -13.685
tors. eta vs tors. theta energy: -13.162
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: 2
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -218.300604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.300604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.300604 (E_RNA)
where:
Base-Base interactions energy: -138.054
where: short stacking energy: -63.461
Base-Backbone interact. energy: -0.000
local terms energy: -80.245774
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -20.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -202.571707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.571707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.571707 (E_RNA)
where:
Base-Base interactions energy: -128.384
where: short stacking energy: -65.926
Base-Backbone interact. energy: -0.084
local terms energy: -74.104404
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -18.443
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -10.739
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: 7, replica: 4
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -155.972674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.972674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.972674 (E_RNA)
where:
Base-Base interactions energy: -101.089
where: short stacking energy: -45.731
Base-Backbone interact. energy: 0.035
local terms energy: -54.918860
where:
bonds (distance) C4'-P energy: -10.753
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -10.440
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -9.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -88.357587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.357587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.357587 (E_RNA)
where:
Base-Base interactions energy: -35.054
where: short stacking energy: -25.829
Base-Backbone interact. energy: -0.161
local terms energy: -53.142374
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -10.348
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -2.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -85.068281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.068281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.068281 (E_RNA)
where:
Base-Base interactions energy: -37.075
where: short stacking energy: -37.075
Base-Backbone interact. energy: 1.668
local terms energy: -49.660702
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -13.760
flat angles C4'-P-C4' energy: -8.554
flat angles P-C4'-P energy: -6.210
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: 10, replica: 1
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -75.639693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.639693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.639693 (E_RNA)
where:
Base-Base interactions energy: -31.774
where: short stacking energy: -25.534
Base-Backbone interact. energy: -0.175
local terms energy: -43.690928
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -8.548
flat angles C4'-P-C4' energy: -10.975
flat angles P-C4'-P energy: -5.930
tors. eta vs tors. theta energy: -2.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -235.968921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.968921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.968921 (E_RNA)
where:
Base-Base interactions energy: -153.005
where: short stacking energy: -76.616
Base-Backbone interact. energy: -0.008
local terms energy: -82.956232
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -16.229
flat angles P-C4'-P energy: -12.658
tors. eta vs tors. theta energy: -18.988
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: 2, replica: 8
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -218.987831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.987831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.987831 (E_RNA)
where:
Base-Base interactions energy: -145.371
where: short stacking energy: -70.517
Base-Backbone interact. energy: -0.034
local terms energy: -73.582581
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -14.513
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -18.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -223.683867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.683867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.683867 (E_RNA)
where:
Base-Base interactions energy: -147.619
where: short stacking energy: -67.358
Base-Backbone interact. energy: -0.001
local terms energy: -76.063149
where:
bonds (distance) C4'-P energy: -13.011
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: -21.393
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: 2
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -210.677135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.677135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.677135 (E_RNA)
where:
Base-Base interactions energy: -133.384
where: short stacking energy: -70.938
Base-Backbone interact. energy: -0.046
local terms energy: -77.247116
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -18.040
flat angles P-C4'-P energy: -6.463
tors. eta vs tors. theta energy: -21.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -198.684411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.684411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.684411 (E_RNA)
where:
Base-Base interactions energy: -131.640
where: short stacking energy: -64.418
Base-Backbone interact. energy: -0.103
local terms energy: -66.942005
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -6.937
tors. eta vs tors. theta energy: -15.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -159.990409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.990409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.990409 (E_RNA)
where:
Base-Base interactions energy: -93.143
where: short stacking energy: -53.249
Base-Backbone interact. energy: -0.007
local terms energy: -66.841123
where:
bonds (distance) C4'-P energy: -13.886
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -8.156
tors. eta vs tors. theta energy: -12.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -178.184245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.184245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.184245 (E_RNA)
where:
Base-Base interactions energy: -119.889
where: short stacking energy: -49.341
Base-Backbone interact. energy: -1.639
local terms energy: -56.656215
where:
bonds (distance) C4'-P energy: -10.468
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -7.534
tors. eta vs tors. theta energy: -11.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -78.840324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.840324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.840324 (E_RNA)
where:
Base-Base interactions energy: -36.182
where: short stacking energy: -23.716
Base-Backbone interact. energy: -0.338
local terms energy: -42.320866
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -10.029
flat angles C4'-P-C4' energy: -11.540
flat angles P-C4'-P energy: -5.489
tors. eta vs tors. theta energy: -2.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -90.673420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.673420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.673420 (E_RNA)
where:
Base-Base interactions energy: -40.225
where: short stacking energy: -39.539
Base-Backbone interact. energy: -0.013
local terms energy: -50.434679
where:
bonds (distance) C4'-P energy: -10.464
bonds (distance) P-C4' energy: -15.053
flat angles C4'-P-C4' energy: -9.508
flat angles P-C4'-P energy: -7.443
tors. eta vs tors. theta energy: -7.966
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: 10, replica: 1
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -73.759411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.759411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.759411 (E_RNA)
where:
Base-Base interactions energy: -27.389
where: short stacking energy: -27.389
Base-Backbone interact. energy: -0.065
local terms energy: -46.304666
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -12.152
flat angles P-C4'-P energy: -3.635
tors. eta vs tors. theta energy: -3.594
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: 6
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -230.879044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.879044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.879044 (E_RNA)
where:
Base-Base interactions energy: -155.033
where: short stacking energy: -73.197
Base-Backbone interact. energy: -0.279
local terms energy: -75.566374
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -19.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -224.595984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.595984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.595984 (E_RNA)
where:
Base-Base interactions energy: -150.068
where: short stacking energy: -78.225
Base-Backbone interact. energy: -0.000
local terms energy: -74.528262
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -11.777
tors. eta vs tors. theta energy: -19.394
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: 214
Temperature: 1.000000
Total energy: -223.104279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.104279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.104279 (E_RNA)
where:
Base-Base interactions energy: -144.640
where: short stacking energy: -68.120
Base-Backbone interact. energy: -0.000
local terms energy: -78.464118
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -12.336
tors. eta vs tors. theta energy: -21.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -211.678607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.678607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.678607 (E_RNA)
where:
Base-Base interactions energy: -145.682
where: short stacking energy: -70.500
Base-Backbone interact. energy: 0.503
local terms energy: -66.499474
where:
bonds (distance) C4'-P energy: -10.372
bonds (distance) P-C4' energy: -10.182
flat angles C4'-P-C4' energy: -17.658
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -17.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -152.252775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.252775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.252775 (E_RNA)
where:
Base-Base interactions energy: -78.627
where: short stacking energy: -44.970
Base-Backbone interact. energy: -0.015
local terms energy: -73.610923
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -14.603
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: 10
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -204.375340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.375340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.375340 (E_RNA)
where:
Base-Base interactions energy: -135.054
where: short stacking energy: -63.680
Base-Backbone interact. energy: -0.243
local terms energy: -69.077864
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -5.572
tors. eta vs tors. theta energy: -18.640
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: 3
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -196.075051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.075051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.075051 (E_RNA)
where:
Base-Base interactions energy: -131.944
where: short stacking energy: -64.322
Base-Backbone interact. energy: -0.231
local terms energy: -63.900410
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -13.641
flat angles C4'-P-C4' energy: -7.672
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -14.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -82.609554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.609554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.609554 (E_RNA)
where:
Base-Base interactions energy: -30.121
where: short stacking energy: -27.719
Base-Backbone interact. energy: -0.290
local terms energy: -52.198603
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -9.085
flat angles P-C4'-P energy: -9.754
tors. eta vs tors. theta energy: -4.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -75.318097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.318097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.318097 (E_RNA)
where:
Base-Base interactions energy: -30.618
where: short stacking energy: -30.618
Base-Backbone interact. energy: 3.684
local terms energy: -48.384207
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -8.211
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -0.190
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: 10, replica: 5
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -84.103058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.103058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.103058 (E_RNA)
where:
Base-Base interactions energy: -32.921
where: short stacking energy: -28.253
Base-Backbone interact. energy: -1.594
local terms energy: -49.588165
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -11.656
flat angles C4'-P-C4' energy: -11.221
flat angles P-C4'-P energy: -7.693
tors. eta vs tors. theta energy: -4.729
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: 6
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -231.550441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.550441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.550441 (E_RNA)
where:
Base-Base interactions energy: -153.570
where: short stacking energy: -75.802
Base-Backbone interact. energy: -0.002
local terms energy: -77.978556
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -13.301
tors. eta vs tors. theta energy: -17.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -226.785263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.785263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.785263 (E_RNA)
where:
Base-Base interactions energy: -147.087
where: short stacking energy: -78.751
Base-Backbone interact. energy: -0.001
local terms energy: -79.697934
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -23.303
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: 8
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -206.535933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.535933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.535933 (E_RNA)
where:
Base-Base interactions energy: -141.415
where: short stacking energy: -72.099
Base-Backbone interact. energy: -0.105
local terms energy: -65.015125
where:
bonds (distance) C4'-P energy: -9.434
bonds (distance) P-C4' energy: -16.197
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -7.321
tors. eta vs tors. theta energy: -18.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -216.527683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.527683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.527683 (E_RNA)
where:
Base-Base interactions energy: -145.806
where: short stacking energy: -73.072
Base-Backbone interact. energy: -0.007
local terms energy: -70.714753
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: -19.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -197.310956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.310956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.310956 (E_RNA)
where:
Base-Base interactions energy: -125.810
where: short stacking energy: -62.668
Base-Backbone interact. energy: -1.368
local terms energy: -70.132346
where:
bonds (distance) C4'-P energy: -9.097
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -19.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -202.251310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.251310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.251310 (E_RNA)
where:
Base-Base interactions energy: -134.605
where: short stacking energy: -69.975
Base-Backbone interact. energy: -0.276
local terms energy: -67.370549
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -14.488
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -5.126
tors. eta vs tors. theta energy: -18.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -197.446044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.446044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.446044 (E_RNA)
where:
Base-Base interactions energy: -132.707
where: short stacking energy: -56.580
Base-Backbone interact. energy: -0.332
local terms energy: -64.406840
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -11.826
flat angles C4'-P-C4' energy: -12.291
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -15.955
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: 8, replica: 1
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -89.589214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.589214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.589214 (E_RNA)
where:
Base-Base interactions energy: -35.734
where: short stacking energy: -35.734
Base-Backbone interact. energy: 0.927
local terms energy: -54.782492
where:
bonds (distance) C4'-P energy: -11.568
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -10.473
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -8.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -89.341222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.341222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.341222 (E_RNA)
where:
Base-Base interactions energy: -34.612
where: short stacking energy: -30.033
Base-Backbone interact. energy: -2.058
local terms energy: -52.670428
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -11.334
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -5.090
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: 10, replica: 5
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -73.870200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.870200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.870200 (E_RNA)
where:
Base-Base interactions energy: -29.420
where: short stacking energy: -27.971
Base-Backbone interact. energy: -0.270
local terms energy: -44.179462
where:
bonds (distance) C4'-P energy: -10.205
bonds (distance) P-C4' energy: -12.769
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: 1.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -232.284409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.284409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.284409 (E_RNA)
where:
Base-Base interactions energy: -151.497
where: short stacking energy: -73.203
Base-Backbone interact. energy: -0.123
local terms energy: -80.664693
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -12.924
tors. eta vs tors. theta energy: -21.790
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: 2, replica: 6
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -229.477778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.477778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.477778 (E_RNA)
where:
Base-Base interactions energy: -149.133
where: short stacking energy: -71.039
Base-Backbone interact. energy: 0.304
local terms energy: -80.648717
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -13.474
tors. eta vs tors. theta energy: -21.285
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: 216
Temperature: 1.000000
Total energy: -215.084730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.084730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.084730 (E_RNA)
where:
Base-Base interactions energy: -141.916
where: short stacking energy: -63.215
Base-Backbone interact. energy: -0.055
local terms energy: -73.114284
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -14.354
tors. eta vs tors. theta energy: -16.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -211.450492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.450492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.450492 (E_RNA)
where:
Base-Base interactions energy: -147.203
where: short stacking energy: -69.017
Base-Backbone interact. energy: -0.282
local terms energy: -63.965978
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -14.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -199.141431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.141431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.141431 (E_RNA)
where:
Base-Base interactions energy: -129.495
where: short stacking energy: -63.523
Base-Backbone interact. energy: -0.003
local terms energy: -69.642687
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -18.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -181.960157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.960157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.960157 (E_RNA)
where:
Base-Base interactions energy: -116.050
where: short stacking energy: -46.180
Base-Backbone interact. energy: -1.516
local terms energy: -64.394528
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -15.238
flat angles C4'-P-C4' energy: -12.891
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -12.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -196.502460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.502460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.502460 (E_RNA)
where:
Base-Base interactions energy: -134.672
where: short stacking energy: -58.521
Base-Backbone interact. energy: -0.603
local terms energy: -61.226714
where:
bonds (distance) C4'-P energy: -6.043
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -13.858
flat angles P-C4'-P energy: -10.325
tors. eta vs tors. theta energy: -14.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -90.293846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.293846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.293846 (E_RNA)
where:
Base-Base interactions energy: -38.807
where: short stacking energy: -37.351
Base-Backbone interact. energy: -0.145
local terms energy: -51.341682
where:
bonds (distance) C4'-P energy: -11.771
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -8.368
tors. eta vs tors. theta energy: -4.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -83.676387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.676387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.676387 (E_RNA)
where:
Base-Base interactions energy: -35.568
where: short stacking energy: -30.661
Base-Backbone interact. energy: -0.163
local terms energy: -47.944567
where:
bonds (distance) C4'-P energy: -11.493
bonds (distance) P-C4' energy: -10.073
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -7.797
tors. eta vs tors. theta energy: -2.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -76.653253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.653253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.653253 (E_RNA)
where:
Base-Base interactions energy: -31.149
where: short stacking energy: -31.149
Base-Backbone interact. energy: -0.305
local terms energy: -45.199434
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -6.139
flat angles P-C4'-P energy: -6.254
tors. eta vs tors. theta energy: 0.362
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: 7
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -234.073849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.073849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.073849 (E_RNA)
where:
Base-Base interactions energy: -155.736
where: short stacking energy: -76.407
Base-Backbone interact. energy: -0.404
local terms energy: -77.934587
where:
bonds (distance) C4'-P energy: -14.817
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -22.423
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: 2, replica: 6
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -217.776432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.776432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.776432 (E_RNA)
where:
Base-Base interactions energy: -142.293
where: short stacking energy: -74.335
Base-Backbone interact. energy: 0.365
local terms energy: -75.848149
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -17.711
flat angles P-C4'-P energy: -6.450
tors. eta vs tors. theta energy: -22.852
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: 8
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -217.837590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.837590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.837590 (E_RNA)
where:
Base-Base interactions energy: -141.962
where: short stacking energy: -71.185
Base-Backbone interact. energy: 0.147
local terms energy: -76.022591
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -12.416
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -20.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -201.493460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.493460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.493460 (E_RNA)
where:
Base-Base interactions energy: -132.539
where: short stacking energy: -65.178
Base-Backbone interact. energy: -0.155
local terms energy: -68.799722
where:
bonds (distance) C4'-P energy: -12.495
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: -18.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -193.926979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.926979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.926979 (E_RNA)
where:
Base-Base interactions energy: -128.071
where: short stacking energy: -63.300
Base-Backbone interact. energy: -0.026
local terms energy: -65.830444
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -6.264
tors. eta vs tors. theta energy: -17.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -202.742988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.742988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.742988 (E_RNA)
where:
Base-Base interactions energy: -135.213
where: short stacking energy: -65.491
Base-Backbone interact. energy: -0.001
local terms energy: -67.529116
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -10.499
flat angles P-C4'-P energy: -9.719
tors. eta vs tors. theta energy: -20.330
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: 7, replica: 4
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -174.122825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.122825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.122825 (E_RNA)
where:
Base-Base interactions energy: -111.162
where: short stacking energy: -53.005
Base-Backbone interact. energy: -0.001
local terms energy: -62.959930
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -11.927
flat angles C4'-P-C4' energy: -9.110
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -14.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -140.182338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.182338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.182338 (E_RNA)
where:
Base-Base interactions energy: -81.744
where: short stacking energy: -34.150
Base-Backbone interact. energy: -0.106
local terms energy: -58.332028
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -12.158
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -6.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -84.814407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.814407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.814407 (E_RNA)
where:
Base-Base interactions energy: -34.999
where: short stacking energy: -32.799
Base-Backbone interact. energy: -0.084
local terms energy: -49.731585
where:
bonds (distance) C4'-P energy: -9.634
bonds (distance) P-C4' energy: -13.523
flat angles C4'-P-C4' energy: -12.050
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -5.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -74.262607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.262607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.262607 (E_RNA)
where:
Base-Base interactions energy: -24.881
where: short stacking energy: -24.881
Base-Backbone interact. energy: 0.134
local terms energy: -49.516317
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -12.181
flat angles P-C4'-P energy: -7.532
tors. eta vs tors. theta energy: -3.064
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: 7
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -232.418204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.418204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.418204 (E_RNA)
where:
Base-Base interactions energy: -154.978
where: short stacking energy: -80.914
Base-Backbone interact. energy: -0.043
local terms energy: -77.397416
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -17.548
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -20.972
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: 6
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -226.846699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.846699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.846699 (E_RNA)
where:
Base-Base interactions energy: -143.479
where: short stacking energy: -75.017
Base-Backbone interact. energy: -0.004
local terms energy: -83.363564
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -18.554
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -24.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -222.513576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.513576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.513576 (E_RNA)
where:
Base-Base interactions energy: -141.680
where: short stacking energy: -73.879
Base-Backbone interact. energy: -0.188
local terms energy: -80.645184
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -14.441
tors. eta vs tors. theta energy: -20.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -215.261817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.261817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.261817 (E_RNA)
where:
Base-Base interactions energy: -143.591
where: short stacking energy: -66.204
Base-Backbone interact. energy: -0.061
local terms energy: -71.610178
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -15.229
flat angles C4'-P-C4' energy: -15.025
flat angles P-C4'-P energy: -11.331
tors. eta vs tors. theta energy: -16.249
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: 3
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -212.578559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.578559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.578559 (E_RNA)
where:
Base-Base interactions energy: -142.732
where: short stacking energy: -71.630
Base-Backbone interact. energy: -0.281
local terms energy: -69.565681
where:
bonds (distance) C4'-P energy: -8.821
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -18.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -201.154012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.154012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.154012 (E_RNA)
where:
Base-Base interactions energy: -138.737
where: short stacking energy: -55.785
Base-Backbone interact. energy: -0.105
local terms energy: -62.311398
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -6.925
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -16.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -148.919308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.919308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.919308 (E_RNA)
where:
Base-Base interactions energy: -90.601
where: short stacking energy: -34.326
Base-Backbone interact. energy: -0.094
local terms energy: -58.224998
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -8.946
tors. eta vs tors. theta energy: -9.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -164.748310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.748310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.748310 (E_RNA)
where:
Base-Base interactions energy: -112.547
where: short stacking energy: -36.829
Base-Backbone interact. energy: -0.443
local terms energy: -51.758927
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -11.371
flat angles C4'-P-C4' energy: -11.006
flat angles P-C4'-P energy: -8.475
tors. eta vs tors. theta energy: -7.486
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: 9
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -103.301306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.301306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.301306 (E_RNA)
where:
Base-Base interactions energy: -49.320
where: short stacking energy: -35.429
Base-Backbone interact. energy: -0.278
local terms energy: -53.702865
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -9.801
flat angles P-C4'-P energy: -7.255
tors. eta vs tors. theta energy: -2.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -75.658213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.658213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.658213 (E_RNA)
where:
Base-Base interactions energy: -27.310
where: short stacking energy: -25.900
Base-Backbone interact. energy: -0.170
local terms energy: -48.177670
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -16.120
flat angles C4'-P-C4' energy: -12.645
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: 2.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -230.177983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.177983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.177983 (E_RNA)
where:
Base-Base interactions energy: -150.002
where: short stacking energy: -73.072
Base-Backbone interact. energy: -0.000
local terms energy: -80.176104
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -13.381
tors. eta vs tors. theta energy: -22.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -214.814296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.814296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.814296 (E_RNA)
where:
Base-Base interactions energy: -137.109
where: short stacking energy: -68.458
Base-Backbone interact. energy: -0.000
local terms energy: -77.705106
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -12.879
tors. eta vs tors. theta energy: -17.856
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: 6
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -221.305128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.305128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.305128 (E_RNA)
where:
Base-Base interactions energy: -149.267
where: short stacking energy: -72.706
Base-Backbone interact. energy: -0.170
local terms energy: -71.867547
where:
bonds (distance) C4'-P energy: -17.461
bonds (distance) P-C4' energy: -15.630
flat angles C4'-P-C4' energy: -9.880
flat angles P-C4'-P energy: -9.567
tors. eta vs tors. theta energy: -19.330
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: 3
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -210.000093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.000093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.000093 (E_RNA)
where:
Base-Base interactions energy: -142.731
where: short stacking energy: -64.993
Base-Backbone interact. energy: -0.409
local terms energy: -66.860070
where:
bonds (distance) C4'-P energy: -11.106
bonds (distance) P-C4' energy: -14.249
flat angles C4'-P-C4' energy: -15.483
flat angles P-C4'-P energy: -9.261
tors. eta vs tors. theta energy: -16.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -208.169167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.169167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.169167 (E_RNA)
where:
Base-Base interactions energy: -135.236
where: short stacking energy: -62.441
Base-Backbone interact. energy: -0.012
local terms energy: -72.921544
where:
bonds (distance) C4'-P energy: -18.487
bonds (distance) P-C4' energy: -14.079
flat angles C4'-P-C4' energy: -11.772
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -17.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -184.747910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.747910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.747910 (E_RNA)
where:
Base-Base interactions energy: -119.156
where: short stacking energy: -54.892
Base-Backbone interact. energy: -0.089
local terms energy: -65.502702
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -16.583
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -11.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -166.207330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.207330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.207330 (E_RNA)
where:
Base-Base interactions energy: -107.727
where: short stacking energy: -42.859
Base-Backbone interact. energy: -0.151
local terms energy: -58.329392
where:
bonds (distance) C4'-P energy: -10.924
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -7.069
tors. eta vs tors. theta energy: -9.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -173.288606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.288606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.288606 (E_RNA)
where:
Base-Base interactions energy: -109.634
where: short stacking energy: -53.046
Base-Backbone interact. energy: -0.012
local terms energy: -63.642682
where:
bonds (distance) C4'-P energy: -11.007
bonds (distance) P-C4' energy: -13.900
flat angles C4'-P-C4' energy: -18.931
flat angles P-C4'-P energy: -6.208
tors. eta vs tors. theta energy: -13.597
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: 219
Temperature: 1.300000
Total energy: -90.286170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.286170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.286170 (E_RNA)
where:
Base-Base interactions energy: -39.859
where: short stacking energy: -11.596
Base-Backbone interact. energy: -0.403
local terms energy: -50.024140
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: 5.374
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: 1
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -76.192918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.192918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.192918 (E_RNA)
where:
Base-Base interactions energy: -33.981
where: short stacking energy: -33.981
Base-Backbone interact. energy: -0.095
local terms energy: -42.116882
where:
bonds (distance) C4'-P energy: -10.878
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -4.490
flat angles P-C4'-P energy: -6.864
tors. eta vs tors. theta energy: -5.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -230.644169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.644169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.644169 (E_RNA)
where:
Base-Base interactions energy: -149.308
where: short stacking energy: -69.774
Base-Backbone interact. energy: -0.397
local terms energy: -80.938528
where:
bonds (distance) C4'-P energy: -13.487
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -13.391
tors. eta vs tors. theta energy: -20.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -221.845131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.845131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.845131 (E_RNA)
where:
Base-Base interactions energy: -149.004
where: short stacking energy: -70.598
Base-Backbone interact. energy: -0.064
local terms energy: -72.777102
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -19.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -218.823902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.823902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.823902 (E_RNA)
where:
Base-Base interactions energy: -145.889
where: short stacking energy: -72.793
Base-Backbone interact. energy: -0.041
local terms energy: -72.894246
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -12.376
tors. eta vs tors. theta energy: -21.336
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: 220
Temperature: 1.050000
Total energy: -215.544795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.544795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.544795 (E_RNA)
where:
Base-Base interactions energy: -144.674
where: short stacking energy: -69.991
Base-Backbone interact. energy: -0.008
local terms energy: -70.862309
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -13.388
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -18.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -197.251418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.251418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.251418 (E_RNA)
where:
Base-Base interactions energy: -129.090
where: short stacking energy: -62.340
Base-Backbone interact. energy: -0.005
local terms energy: -68.156373
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -18.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -200.215735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.215735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.215735 (E_RNA)
where:
Base-Base interactions energy: -136.528
where: short stacking energy: -63.450
Base-Backbone interact. energy: 0.046
local terms energy: -63.733297
where:
bonds (distance) C4'-P energy: -11.808
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -11.726
flat angles P-C4'-P energy: -8.840
tors. eta vs tors. theta energy: -16.590
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: 5
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -173.825940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.825940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.825940 (E_RNA)
where:
Base-Base interactions energy: -110.693
where: short stacking energy: -49.417
Base-Backbone interact. energy: -0.192
local terms energy: -62.940932
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -13.460
flat angles C4'-P-C4' energy: -11.433
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -13.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -144.404917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.404917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.404917 (E_RNA)
where:
Base-Base interactions energy: -79.335
where: short stacking energy: -39.013
Base-Backbone interact. energy: -0.286
local terms energy: -64.783548
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -12.986
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: 1
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -81.616312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.616312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.616312 (E_RNA)
where:
Base-Base interactions energy: -34.161
where: short stacking energy: -33.617
Base-Backbone interact. energy: -0.135
local terms energy: -47.320484
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -7.101
flat angles P-C4'-P energy: -8.940
tors. eta vs tors. theta energy: -3.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -84.622734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.622734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.622734 (E_RNA)
where:
Base-Base interactions energy: -34.740
where: short stacking energy: -31.357
Base-Backbone interact. energy: -0.178
local terms energy: -49.704847
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -8.585
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -13.956
tors. eta vs tors. theta energy: -0.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -226.285035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.285035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.285035 (E_RNA)
where:
Base-Base interactions energy: -149.778
where: short stacking energy: -72.861
Base-Backbone interact. energy: -0.092
local terms energy: -76.414561
where:
bonds (distance) C4'-P energy: -14.151
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -19.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -221.096687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.096687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.096687 (E_RNA)
where:
Base-Base interactions energy: -145.561
where: short stacking energy: -68.120
Base-Backbone interact. energy: 0.147
local terms energy: -75.683130
where:
bonds (distance) C4'-P energy: -14.511
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: -18.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -224.204669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.204669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.204669 (E_RNA)
where:
Base-Base interactions energy: -145.079
where: short stacking energy: -77.099
Base-Backbone interact. energy: -0.073
local terms energy: -79.053030
where:
bonds (distance) C4'-P energy: -15.847
bonds (distance) P-C4' energy: -14.263
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: -21.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -206.750447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.750447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.750447 (E_RNA)
where:
Base-Base interactions energy: -128.770
where: short stacking energy: -57.039
Base-Backbone interact. energy: -0.979
local terms energy: -77.002086
where:
bonds (distance) C4'-P energy: -12.291
bonds (distance) P-C4' energy: -17.483
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -22.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -211.782875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.782875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.782875 (E_RNA)
where:
Base-Base interactions energy: -144.188
where: short stacking energy: -70.995
Base-Backbone interact. energy: -0.002
local terms energy: -67.593238
where:
bonds (distance) C4'-P energy: -9.247
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -12.353
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -20.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -181.127607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.127607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.127607 (E_RNA)
where:
Base-Base interactions energy: -115.579
where: short stacking energy: -53.632
Base-Backbone interact. energy: -0.557
local terms energy: -64.991845
where:
bonds (distance) C4'-P energy: -9.648
bonds (distance) P-C4' energy: -13.795
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -14.654
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: 5
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -154.034487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.034487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.034487 (E_RNA)
where:
Base-Base interactions energy: -88.455
where: short stacking energy: -55.859
Base-Backbone interact. energy: -0.006
local terms energy: -65.573146
where:
bonds (distance) C4'-P energy: -9.888
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -14.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -146.167013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.167013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.167013 (E_RNA)
where:
Base-Base interactions energy: -92.600
where: short stacking energy: -44.369
Base-Backbone interact. energy: -0.397
local terms energy: -53.170299
where:
bonds (distance) C4'-P energy: -12.187
bonds (distance) P-C4' energy: -10.078
flat angles C4'-P-C4' energy: -12.937
flat angles P-C4'-P energy: -7.641
tors. eta vs tors. theta energy: -10.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -77.120879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.120879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.120879 (E_RNA)
where:
Base-Base interactions energy: -28.229
where: short stacking energy: -28.229
Base-Backbone interact. energy: -0.011
local terms energy: -48.880192
where:
bonds (distance) C4'-P energy: -9.241
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -13.321
flat angles P-C4'-P energy: -2.364
tors. eta vs tors. theta energy: -7.049
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: 9
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -79.010961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.010961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.010961 (E_RNA)
where:
Base-Base interactions energy: -22.624
where: short stacking energy: -22.216
Base-Backbone interact. energy: -0.157
local terms energy: -56.229488
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -3.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -221.801023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.801023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.801023 (E_RNA)
where:
Base-Base interactions energy: -147.386
where: short stacking energy: -76.049
Base-Backbone interact. energy: -0.051
local terms energy: -74.363976
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -14.397
tors. eta vs tors. theta energy: -17.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -221.911890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.911890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.911890 (E_RNA)
where:
Base-Base interactions energy: -146.324
where: short stacking energy: -70.341
Base-Backbone interact. energy: -0.378
local terms energy: -75.209898
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -19.417
flat angles P-C4'-P energy: -8.995
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: 3, replica: 2
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -221.744062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.744062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.744062 (E_RNA)
where:
Base-Base interactions energy: -149.471
where: short stacking energy: -71.066
Base-Backbone interact. energy: -0.088
local terms energy: -72.184869
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -14.065
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -19.110
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: 3
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -218.484752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.484752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.484752 (E_RNA)
where:
Base-Base interactions energy: -138.295
where: short stacking energy: -69.192
Base-Backbone interact. energy: -0.288
local terms energy: -79.901728
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -12.354
flat angles P-C4'-P energy: -13.219
tors. eta vs tors. theta energy: -21.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -201.901474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.901474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.901474 (E_RNA)
where:
Base-Base interactions energy: -140.112
where: short stacking energy: -61.257
Base-Backbone interact. energy: -0.030
local terms energy: -61.759132
where:
bonds (distance) C4'-P energy: -11.284
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -14.417
flat angles P-C4'-P energy: -10.798
tors. eta vs tors. theta energy: -13.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -210.015844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.015844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.015844 (E_RNA)
where:
Base-Base interactions energy: -135.722
where: short stacking energy: -69.777
Base-Backbone interact. energy: -0.000
local terms energy: -74.293140
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -13.069
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -18.387
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: 5
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -160.387421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.387421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.387421 (E_RNA)
where:
Base-Base interactions energy: -106.599
where: short stacking energy: -46.108
Base-Backbone interact. energy: -0.700
local terms energy: -53.088043
where:
bonds (distance) C4'-P energy: -6.250
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -14.293
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -10.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -129.222241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.222241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.222241 (E_RNA)
where:
Base-Base interactions energy: -71.810
where: short stacking energy: -43.518
Base-Backbone interact. energy: 1.534
local terms energy: -58.947182
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -9.959
flat angles P-C4'-P energy: -7.677
tors. eta vs tors. theta energy: -10.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -73.527149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.527149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.527149 (E_RNA)
where:
Base-Base interactions energy: -33.530
where: short stacking energy: -33.530
Base-Backbone interact. energy: -0.167
local terms energy: -39.829473
where:
bonds (distance) C4'-P energy: -9.354
bonds (distance) P-C4' energy: -8.605
flat angles C4'-P-C4' energy: -9.372
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -0.740
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: 9
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -82.533208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.533208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.533208 (E_RNA)
where:
Base-Base interactions energy: -32.988
where: short stacking energy: -32.256
Base-Backbone interact. energy: 0.657
local terms energy: -50.202632
where:
bonds (distance) C4'-P energy: -12.546
bonds (distance) P-C4' energy: -10.875
flat angles C4'-P-C4' energy: -8.803
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -6.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -227.352559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.352559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.352559 (E_RNA)
where:
Base-Base interactions energy: -153.494
where: short stacking energy: -73.078
Base-Backbone interact. energy: -0.005
local terms energy: -73.853868
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -18.068
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: 2
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -227.074363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.074363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.074363 (E_RNA)
where:
Base-Base interactions energy: -149.634
where: short stacking energy: -74.335
Base-Backbone interact. energy: -0.638
local terms energy: -76.802622
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -17.284
flat angles P-C4'-P energy: -9.609
tors. eta vs tors. theta energy: -20.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -228.516950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.516950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.516950 (E_RNA)
where:
Base-Base interactions energy: -157.234
where: short stacking energy: -74.962
Base-Backbone interact. energy: -0.038
local terms energy: -71.244560
where:
bonds (distance) C4'-P energy: -13.042
bonds (distance) P-C4' energy: -13.614
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -19.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -209.404102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.404102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.404102 (E_RNA)
where:
Base-Base interactions energy: -134.450
where: short stacking energy: -54.828
Base-Backbone interact. energy: -0.052
local terms energy: -74.901769
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -14.893
tors. eta vs tors. theta energy: -16.716
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: 3
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -202.882290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.882290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.882290 (E_RNA)
where:
Base-Base interactions energy: -142.999
where: short stacking energy: -65.314
Base-Backbone interact. energy: -0.062
local terms energy: -59.821194
where:
bonds (distance) C4'-P energy: -6.573
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -8.791
tors. eta vs tors. theta energy: -15.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -200.862267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.862267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.862267 (E_RNA)
where:
Base-Base interactions energy: -129.933
where: short stacking energy: -63.841
Base-Backbone interact. energy: -0.077
local terms energy: -70.852774
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -14.457
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -18.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -177.407339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.407339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.407339 (E_RNA)
where:
Base-Base interactions energy: -110.590
where: short stacking energy: -52.915
Base-Backbone interact. energy: -0.356
local terms energy: -66.461332
where:
bonds (distance) C4'-P energy: -14.257
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -7.960
tors. eta vs tors. theta energy: -12.976
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: 1
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -95.771902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.771902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.771902 (E_RNA)
where:
Base-Base interactions energy: -41.081
where: short stacking energy: -22.978
Base-Backbone interact. energy: 0.332
local terms energy: -55.023410
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -10.741
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -8.810
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: 9, replica: 4
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -85.542883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.542883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.542883 (E_RNA)
where:
Base-Base interactions energy: -30.543
where: short stacking energy: -29.396
Base-Backbone interact. energy: -0.101
local terms energy: -54.898439
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -8.408
flat angles P-C4'-P energy: -12.986
tors. eta vs tors. theta energy: -5.177
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: 9
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -83.758365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.758365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.758365 (E_RNA)
where:
Base-Base interactions energy: -34.315
where: short stacking energy: -23.382
Base-Backbone interact. energy: -0.099
local terms energy: -49.344060
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: 1.513
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: 1, replica: 2
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -234.544560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.544560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.544560 (E_RNA)
where:
Base-Base interactions energy: -153.561
where: short stacking energy: -77.003
Base-Backbone interact. energy: -0.002
local terms energy: -80.981183
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -18.449
flat angles P-C4'-P energy: -13.102
tors. eta vs tors. theta energy: -21.513
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: 7
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -221.649605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.649605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.649605 (E_RNA)
where:
Base-Base interactions energy: -146.034
where: short stacking energy: -69.689
Base-Backbone interact. energy: -0.581
local terms energy: -75.034540
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -12.165
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -12.724
tors. eta vs tors. theta energy: -22.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -225.575062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.575062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.575062 (E_RNA)
where:
Base-Base interactions energy: -148.341
where: short stacking energy: -75.266
Base-Backbone interact. energy: -0.642
local terms energy: -76.591386
where:
bonds (distance) C4'-P energy: -8.815
bonds (distance) P-C4' energy: -17.146
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -14.169
tors. eta vs tors. theta energy: -20.674
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: 10
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -216.035367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.035367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.035367 (E_RNA)
where:
Base-Base interactions energy: -143.321
where: short stacking energy: -66.805
Base-Backbone interact. energy: -0.083
local terms energy: -72.631560
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -10.784
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -18.647
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: 224
Temperature: 1.100000
Total energy: -217.972415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.972415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.972415 (E_RNA)
where:
Base-Base interactions energy: -139.195
where: short stacking energy: -68.312
Base-Backbone interact. energy: -0.087
local terms energy: -78.690434
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -18.755
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -23.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -192.156525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.156525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.156525 (E_RNA)
where:
Base-Base interactions energy: -123.576
where: short stacking energy: -61.497
Base-Backbone interact. energy: -0.316
local terms energy: -68.264903
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -18.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -180.649459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.649459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.649459 (E_RNA)
where:
Base-Base interactions energy: -108.260
where: short stacking energy: -55.744
Base-Backbone interact. energy: -0.156
local terms energy: -72.233806
where:
bonds (distance) C4'-P energy: -15.095
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -19.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -101.503456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.503456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.503456 (E_RNA)
where:
Base-Base interactions energy: -45.270
where: short stacking energy: -30.885
Base-Backbone interact. energy: -0.097
local terms energy: -56.136754
where:
bonds (distance) C4'-P energy: -10.546
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -6.707
tors. eta vs tors. theta energy: -8.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -93.273515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.273515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.273515 (E_RNA)
where:
Base-Base interactions energy: -37.814
where: short stacking energy: -37.759
Base-Backbone interact. energy: -0.127
local terms energy: -55.333159
where:
bonds (distance) C4'-P energy: -11.001
bonds (distance) P-C4' energy: -11.253
flat angles C4'-P-C4' energy: -9.186
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: -12.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -76.791418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.791418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.791418 (E_RNA)
where:
Base-Base interactions energy: -36.802
where: short stacking energy: -22.905
Base-Backbone interact. energy: -0.209
local terms energy: -39.780748
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -10.438
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -3.705
tors. eta vs tors. theta energy: 2.222
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: 2
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -231.000512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.000512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.000512 (E_RNA)
where:
Base-Base interactions energy: -152.631
where: short stacking energy: -78.418
Base-Backbone interact. energy: -0.215
local terms energy: -78.154288
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -17.917
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: -20.155
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: 225
Temperature: 0.950000
Total energy: -224.213526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.213526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.213526 (E_RNA)
where:
Base-Base interactions energy: -145.388
where: short stacking energy: -65.698
Base-Backbone interact. energy: -0.025
local terms energy: -78.800217
where:
bonds (distance) C4'-P energy: -15.625
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -18.147
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -19.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -218.070035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.070035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.070035 (E_RNA)
where:
Base-Base interactions energy: -146.565
where: short stacking energy: -72.381
Base-Backbone interact. energy: -0.640
local terms energy: -70.865126
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -11.813
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -19.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -218.731817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.731817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.731817 (E_RNA)
where:
Base-Base interactions energy: -146.350
where: short stacking energy: -72.663
Base-Backbone interact. energy: -0.154
local terms energy: -72.227114
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -10.325
tors. eta vs tors. theta energy: -15.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -215.069177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.069177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.069177 (E_RNA)
where:
Base-Base interactions energy: -141.534
where: short stacking energy: -59.930
Base-Backbone interact. energy: -0.060
local terms energy: -73.475545
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -14.370
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: -18.513
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: 3
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -204.300091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.300091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.300091 (E_RNA)
where:
Base-Base interactions energy: -135.423
where: short stacking energy: -66.174
Base-Backbone interact. energy: -0.180
local terms energy: -68.696976
where:
bonds (distance) C4'-P energy: -10.001
bonds (distance) P-C4' energy: -14.439
flat angles C4'-P-C4' energy: -13.702
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -20.493
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: 5
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -172.661250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.661250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.661250 (E_RNA)
where:
Base-Base interactions energy: -113.362
where: short stacking energy: -51.523
Base-Backbone interact. energy: -0.173
local terms energy: -59.126425
where:
bonds (distance) C4'-P energy: -10.235
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -11.239
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: 1
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -92.666899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.666899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.666899 (E_RNA)
where:
Base-Base interactions energy: -40.527
where: short stacking energy: -41.959
Base-Backbone interact. energy: -0.013
local terms energy: -52.126794
where:
bonds (distance) C4'-P energy: -8.157
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -5.541
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: 225
Temperature: 1.300000
Total energy: -87.065855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.065855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.065855 (E_RNA)
where:
Base-Base interactions energy: -39.099
where: short stacking energy: -36.922
Base-Backbone interact. energy: 0.614
local terms energy: -48.580839
where:
bonds (distance) C4'-P energy: -9.649
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: -1.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -71.917669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.917669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.917669 (E_RNA)
where:
Base-Base interactions energy: -23.951
where: short stacking energy: -18.784
Base-Backbone interact. energy: -0.311
local terms energy: -47.655065
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -7.748
tors. eta vs tors. theta energy: 1.971
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: 1, replica: 8
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -230.677329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.677329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.677329 (E_RNA)
where:
Base-Base interactions energy: -152.224
where: short stacking energy: -75.789
Base-Backbone interact. energy: -0.221
local terms energy: -78.232708
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -13.403
tors. eta vs tors. theta energy: -19.863
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: 2
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -230.113468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.113468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.113468 (E_RNA)
where:
Base-Base interactions energy: -152.431
where: short stacking energy: -75.135
Base-Backbone interact. energy: -0.014
local terms energy: -77.667968
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -21.246
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: 7
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -220.937776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.937776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.937776 (E_RNA)
where:
Base-Base interactions energy: -147.259
where: short stacking energy: -62.995
Base-Backbone interact. energy: -0.012
local terms energy: -73.666577
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -16.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -212.235061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.235061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.235061 (E_RNA)
where:
Base-Base interactions energy: -142.180
where: short stacking energy: -71.644
Base-Backbone interact. energy: -0.003
local terms energy: -70.052673
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -11.362
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -11.818
tors. eta vs tors. theta energy: -18.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -203.702110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.702110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.702110 (E_RNA)
where:
Base-Base interactions energy: -127.777
where: short stacking energy: -65.836
Base-Backbone interact. energy: 0.061
local terms energy: -75.986156
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -12.563
flat angles P-C4'-P energy: -15.317
tors. eta vs tors. theta energy: -16.173
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: 226
Temperature: 1.150000
Total energy: -195.528680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.528680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.528680 (E_RNA)
where:
Base-Base interactions energy: -129.119
where: short stacking energy: -64.258
Base-Backbone interact. energy: -0.000
local terms energy: -66.409714
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -8.748
flat angles C4'-P-C4' energy: -15.098
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -19.842
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: 5
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -162.613648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.613648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.613648 (E_RNA)
where:
Base-Base interactions energy: -97.473
where: short stacking energy: -44.110
Base-Backbone interact. energy: -0.015
local terms energy: -65.125711
where:
bonds (distance) C4'-P energy: -11.461
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -11.068
tors. eta vs tors. theta energy: -10.889
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: 8, replica: 1
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -91.555923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.555923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.555923 (E_RNA)
where:
Base-Base interactions energy: -49.371
where: short stacking energy: -26.175
Base-Backbone interact. energy: -0.148
local terms energy: -42.037770
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -13.615
flat angles C4'-P-C4' energy: -9.980
flat angles P-C4'-P energy: -2.237
tors. eta vs tors. theta energy: -3.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -85.306685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.306685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.306685 (E_RNA)
where:
Base-Base interactions energy: -37.650
where: short stacking energy: -37.650
Base-Backbone interact. energy: -0.225
local terms energy: -47.431285
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -10.248
flat angles C4'-P-C4' energy: -12.246
flat angles P-C4'-P energy: -6.102
tors. eta vs tors. theta energy: -6.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -82.102719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.102719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.102719 (E_RNA)
where:
Base-Base interactions energy: -31.165
where: short stacking energy: -31.165
Base-Backbone interact. energy: 0.121
local terms energy: -51.058262
where:
bonds (distance) C4'-P energy: -17.547
bonds (distance) P-C4' energy: -13.531
flat angles C4'-P-C4' energy: -12.232
flat angles P-C4'-P energy: -7.797
tors. eta vs tors. theta energy: 0.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -231.789669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.789669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.789669 (E_RNA)
where:
Base-Base interactions energy: -156.041
where: short stacking energy: -76.045
Base-Backbone interact. energy: -0.001
local terms energy: -75.746866
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -21.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -225.379327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.379327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.379327 (E_RNA)
where:
Base-Base interactions energy: -153.155
where: short stacking energy: -62.827
Base-Backbone interact. energy: -0.148
local terms energy: -72.076074
where:
bonds (distance) C4'-P energy: -13.629
bonds (distance) P-C4' energy: -15.563
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -16.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -206.550681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.550681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.550681 (E_RNA)
where:
Base-Base interactions energy: -133.494
where: short stacking energy: -63.241
Base-Backbone interact. energy: -0.024
local terms energy: -73.032716
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: -16.184
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: 6
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -214.651374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.651374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.651374 (E_RNA)
where:
Base-Base interactions energy: -144.737
where: short stacking energy: -69.955
Base-Backbone interact. energy: -0.239
local terms energy: -69.675724
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -10.784
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -20.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -211.894080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.894080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.894080 (E_RNA)
where:
Base-Base interactions energy: -147.189
where: short stacking energy: -74.574
Base-Backbone interact. energy: -0.523
local terms energy: -64.182066
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -7.754
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -12.590
tors. eta vs tors. theta energy: -15.506
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: 227
Temperature: 1.150000
Total energy: -201.435506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.435506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.435506 (E_RNA)
where:
Base-Base interactions energy: -132.076
where: short stacking energy: -54.219
Base-Backbone interact. energy: -0.240
local terms energy: -69.119424
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -14.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -169.308926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.308926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.308926 (E_RNA)
where:
Base-Base interactions energy: -107.842
where: short stacking energy: -56.292
Base-Backbone interact. energy: -0.014
local terms energy: -61.452763
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -10.422
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -12.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -89.546242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.546242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.546242 (E_RNA)
where:
Base-Base interactions energy: -34.863
where: short stacking energy: -34.863
Base-Backbone interact. energy: -0.002
local terms energy: -54.681857
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -6.395
tors. eta vs tors. theta energy: -6.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -103.032177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.032177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.032177 (E_RNA)
where:
Base-Base interactions energy: -36.778
where: short stacking energy: -34.776
Base-Backbone interact. energy: 0.795
local terms energy: -67.049229
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -12.631
tors. eta vs tors. theta energy: -7.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -78.861506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.861506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.861506 (E_RNA)
where:
Base-Base interactions energy: -24.698
where: short stacking energy: -18.341
Base-Backbone interact. energy: -0.173
local terms energy: -53.989946
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -8.041
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: 7
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -223.101695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.101695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.101695 (E_RNA)
where:
Base-Base interactions energy: -142.583
where: short stacking energy: -70.941
Base-Backbone interact. energy: -0.020
local terms energy: -80.498325
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -16.930
flat angles C4'-P-C4' energy: -17.189
flat angles P-C4'-P energy: -13.187
tors. eta vs tors. theta energy: -18.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -224.304709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.304709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.304709 (E_RNA)
where:
Base-Base interactions energy: -143.835
where: short stacking energy: -68.511
Base-Backbone interact. energy: -0.308
local terms energy: -80.161655
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -21.323
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: 6
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -213.258314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.258314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.258314 (E_RNA)
where:
Base-Base interactions energy: -141.283
where: short stacking energy: -57.981
Base-Backbone interact. energy: -0.465
local terms energy: -71.510125
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -16.929
flat angles P-C4'-P energy: -11.210
tors. eta vs tors. theta energy: -16.780
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: 2
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -215.883400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.883400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.883400 (E_RNA)
where:
Base-Base interactions energy: -143.010
where: short stacking energy: -70.792
Base-Backbone interact. energy: -0.831
local terms energy: -72.042386
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -16.073
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -6.990
tors. eta vs tors. theta energy: -19.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -226.310945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.310945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.310945 (E_RNA)
where:
Base-Base interactions energy: -148.225
where: short stacking energy: -70.036
Base-Backbone interact. energy: -0.633
local terms energy: -77.453214
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -13.497
tors. eta vs tors. theta energy: -18.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -209.670222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.670222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.670222 (E_RNA)
where:
Base-Base interactions energy: -132.395
where: short stacking energy: -67.467
Base-Backbone interact. energy: -0.008
local terms energy: -77.267531
where:
bonds (distance) C4'-P energy: -13.798
bonds (distance) P-C4' energy: -14.098
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -13.741
tors. eta vs tors. theta energy: -18.975
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: 7, replica: 5
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -176.261750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.261750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.261750 (E_RNA)
where:
Base-Base interactions energy: -112.734
where: short stacking energy: -50.995
Base-Backbone interact. energy: -0.014
local terms energy: -63.513800
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -5.419
tors. eta vs tors. theta energy: -14.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -88.851198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.851198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.851198 (E_RNA)
where:
Base-Base interactions energy: -40.383
where: short stacking energy: -26.892
Base-Backbone interact. energy: -1.961
local terms energy: -46.507447
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -12.209
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: 1.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -87.638653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.638653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.638653 (E_RNA)
where:
Base-Base interactions energy: -38.082
where: short stacking energy: -37.209
Base-Backbone interact. energy: -0.425
local terms energy: -49.132066
where:
bonds (distance) C4'-P energy: -16.586
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -2.068
tors. eta vs tors. theta energy: -4.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -78.424346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.424346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.424346 (E_RNA)
where:
Base-Base interactions energy: -31.496
where: short stacking energy: -19.101
Base-Backbone interact. energy: -0.143
local terms energy: -46.785106
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -4.646
tors. eta vs tors. theta energy: -0.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -240.111589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.111589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.111589 (E_RNA)
where:
Base-Base interactions energy: -157.118
where: short stacking energy: -75.151
Base-Backbone interact. energy: -0.005
local terms energy: -82.989111
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -11.977
tors. eta vs tors. theta energy: -21.717
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: 2, replica: 8
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -231.558929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.558929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.558929 (E_RNA)
where:
Base-Base interactions energy: -149.421
where: short stacking energy: -75.894
Base-Backbone interact. energy: -0.000
local terms energy: -82.137984
where:
bonds (distance) C4'-P energy: -14.805
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -16.646
flat angles P-C4'-P energy: -13.009
tors. eta vs tors. theta energy: -20.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -222.814903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.814903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.814903 (E_RNA)
where:
Base-Base interactions energy: -140.401
where: short stacking energy: -70.822
Base-Backbone interact. energy: -0.000
local terms energy: -82.413159
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -14.935
flat angles C4'-P-C4' energy: -17.871
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -22.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -217.785619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.785619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.785619 (E_RNA)
where:
Base-Base interactions energy: -139.800
where: short stacking energy: -62.887
Base-Backbone interact. energy: -0.055
local terms energy: -77.931062
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -17.605
flat angles C4'-P-C4' energy: -18.883
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -16.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -219.812563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.812563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.812563 (E_RNA)
where:
Base-Base interactions energy: -141.199
where: short stacking energy: -69.031
Base-Backbone interact. energy: -0.275
local terms energy: -78.338570
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -17.920
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: 10
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -191.650731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.650731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.650731 (E_RNA)
where:
Base-Base interactions energy: -121.908
where: short stacking energy: -57.812
Base-Backbone interact. energy: -0.017
local terms energy: -69.725690
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -12.805
flat angles C4'-P-C4' energy: -17.922
flat angles P-C4'-P energy: -7.035
tors. eta vs tors. theta energy: -16.376
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: 5
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -184.226427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.226427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.226427 (E_RNA)
where:
Base-Base interactions energy: -124.849
where: short stacking energy: -54.048
Base-Backbone interact. energy: 0.733
local terms energy: -60.110121
where:
bonds (distance) C4'-P energy: -10.036
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -5.121
tors. eta vs tors. theta energy: -12.081
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: 1
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -108.240240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.240240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.240240 (E_RNA)
where:
Base-Base interactions energy: -64.200
where: short stacking energy: -30.537
Base-Backbone interact. energy: 0.100
local terms energy: -44.140697
where:
bonds (distance) C4'-P energy: -11.598
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -11.713
flat angles P-C4'-P energy: -5.677
tors. eta vs tors. theta energy: 1.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -78.378050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.378050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.378050 (E_RNA)
where:
Base-Base interactions energy: -31.577
where: short stacking energy: -30.828
Base-Backbone interact. energy: -0.348
local terms energy: -46.452650
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -10.573
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: 1.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -70.255602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.255602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.255602 (E_RNA)
where:
Base-Base interactions energy: -31.360
where: short stacking energy: -21.235
Base-Backbone interact. energy: -0.322
local terms energy: -38.573321
where:
bonds (distance) C4'-P energy: -10.659
bonds (distance) P-C4' energy: -12.928
flat angles C4'-P-C4' energy: -9.202
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: 2.014
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: 8
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -229.398345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.398345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.398345 (E_RNA)
where:
Base-Base interactions energy: -154.645
where: short stacking energy: -79.094
Base-Backbone interact. energy: -0.123
local terms energy: -74.630678
where:
bonds (distance) C4'-P energy: -14.085
bonds (distance) P-C4' energy: -9.841
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -21.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -228.711423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.711423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.711423 (E_RNA)
where:
Base-Base interactions energy: -157.039
where: short stacking energy: -81.864
Base-Backbone interact. energy: -0.001
local terms energy: -71.671774
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -16.652
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -20.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -223.915047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.915047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.915047 (E_RNA)
where:
Base-Base interactions energy: -151.345
where: short stacking energy: -63.024
Base-Backbone interact. energy: -1.051
local terms energy: -71.518822
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -15.226
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: 6
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -211.317009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.317009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.317009 (E_RNA)
where:
Base-Base interactions energy: -135.922
where: short stacking energy: -72.332
Base-Backbone interact. energy: -0.952
local terms energy: -74.442826
where:
bonds (distance) C4'-P energy: -9.532
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -22.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -203.925876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.925876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.925876 (E_RNA)
where:
Base-Base interactions energy: -137.969
where: short stacking energy: -71.905
Base-Backbone interact. energy: -0.004
local terms energy: -65.952439
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -12.199
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -15.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -212.496100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.496100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.496100 (E_RNA)
where:
Base-Base interactions energy: -138.433
where: short stacking energy: -65.942
Base-Backbone interact. energy: -0.552
local terms energy: -73.511373
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -15.332
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -20.574
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: 5
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -183.200049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.200049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.200049 (E_RNA)
where:
Base-Base interactions energy: -121.720
where: short stacking energy: -47.735
Base-Backbone interact. energy: -0.369
local terms energy: -61.110393
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -12.739
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -9.911
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: 1
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -156.478412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.478412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.478412 (E_RNA)
where:
Base-Base interactions energy: -102.619
where: short stacking energy: -47.484
Base-Backbone interact. energy: 0.959
local terms energy: -54.818578
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -8.259
flat angles P-C4'-P energy: -6.183
tors. eta vs tors. theta energy: -13.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -89.019531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.019531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.019531 (E_RNA)
where:
Base-Base interactions energy: -29.790
where: short stacking energy: -28.008
Base-Backbone interact. energy: -0.198
local terms energy: -59.031946
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -11.262
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -13.133
tors. eta vs tors. theta energy: -8.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -88.064878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.064878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.064878 (E_RNA)
where:
Base-Base interactions energy: -46.538
where: short stacking energy: -42.544
Base-Backbone interact. energy: -0.412
local terms energy: -41.115555
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -13.185
flat angles C4'-P-C4' energy: -10.857
flat angles P-C4'-P energy: -3.444
tors. eta vs tors. theta energy: -1.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -236.658601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.658601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.658601 (E_RNA)
where:
Base-Base interactions energy: -156.491
where: short stacking energy: -70.565
Base-Backbone interact. energy: -0.459
local terms energy: -79.708099
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -17.557
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -22.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -227.307673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.307673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.307673 (E_RNA)
where:
Base-Base interactions energy: -152.487
where: short stacking energy: -75.719
Base-Backbone interact. energy: -0.023
local terms energy: -74.797987
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -13.756
flat angles C4'-P-C4' energy: -17.234
flat angles P-C4'-P energy: -11.196
tors. eta vs tors. theta energy: -19.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -211.029892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.029892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.029892 (E_RNA)
where:
Base-Base interactions energy: -138.192
where: short stacking energy: -69.050
Base-Backbone interact. energy: -0.001
local terms energy: -72.837520
where:
bonds (distance) C4'-P energy: -10.187
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -12.549
tors. eta vs tors. theta energy: -21.084
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: 10
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -204.230400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.230400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.230400 (E_RNA)
where:
Base-Base interactions energy: -139.312
where: short stacking energy: -69.796
Base-Backbone interact. energy: -0.101
local terms energy: -64.818029
where:
bonds (distance) C4'-P energy: -10.037
bonds (distance) P-C4' energy: -13.069
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: -18.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -205.148330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.148330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.148330 (E_RNA)
where:
Base-Base interactions energy: -135.116
where: short stacking energy: -63.821
Base-Backbone interact. energy: 0.404
local terms energy: -70.436455
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -8.597
tors. eta vs tors. theta energy: -18.305
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: 5
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -194.016432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.016432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.016432 (E_RNA)
where:
Base-Base interactions energy: -119.678
where: short stacking energy: -63.319
Base-Backbone interact. energy: -2.735
local terms energy: -71.603516
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -13.179
flat angles C4'-P-C4' energy: -16.835
flat angles P-C4'-P energy: -9.812
tors. eta vs tors. theta energy: -18.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -190.147224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.147224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.147224 (E_RNA)
where:
Base-Base interactions energy: -128.719
where: short stacking energy: -61.584
Base-Backbone interact. energy: -0.308
local terms energy: -61.120424
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -14.925
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -6.147
tors. eta vs tors. theta energy: -13.792
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: 9
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -80.251737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.251737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.251737 (E_RNA)
where:
Base-Base interactions energy: -25.294
where: short stacking energy: -24.760
Base-Backbone interact. energy: 1.410
local terms energy: -56.367886
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -10.886
flat angles P-C4'-P energy: -6.573
tors. eta vs tors. theta energy: -7.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -141.852858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.852858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.852858 (E_RNA)
where:
Base-Base interactions energy: -86.495
where: short stacking energy: -45.627
Base-Backbone interact. energy: -0.876
local terms energy: -54.481911
where:
bonds (distance) C4'-P energy: -10.887
bonds (distance) P-C4' energy: -12.326
flat angles C4'-P-C4' energy: -16.381
flat angles P-C4'-P energy: -5.619
tors. eta vs tors. theta energy: -9.268
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: 4
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -71.795840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.795840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.795840 (E_RNA)
where:
Base-Base interactions energy: -27.168
where: short stacking energy: -27.168
Base-Backbone interact. energy: -0.501
local terms energy: -44.126910
where:
bonds (distance) C4'-P energy: -9.806
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -11.371
flat angles P-C4'-P energy: -6.389
tors. eta vs tors. theta energy: 0.241
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: 8
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -235.150148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.150148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.150148 (E_RNA)
where:
Base-Base interactions energy: -149.698
where: short stacking energy: -74.968
Base-Backbone interact. energy: -0.221
local terms energy: -85.230992
where:
bonds (distance) C4'-P energy: -17.258
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -22.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -223.608405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.608405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.608405 (E_RNA)
where:
Base-Base interactions energy: -147.014
where: short stacking energy: -72.332
Base-Backbone interact. energy: -0.096
local terms energy: -76.497944
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -18.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -218.811518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.811518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.811518 (E_RNA)
where:
Base-Base interactions energy: -139.595
where: short stacking energy: -65.355
Base-Backbone interact. energy: 0.528
local terms energy: -79.744247
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -22.164
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: 7
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -216.416320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.416320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.416320 (E_RNA)
where:
Base-Base interactions energy: -141.149
where: short stacking energy: -64.684
Base-Backbone interact. energy: -0.001
local terms energy: -75.266298
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: -19.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -185.415082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.415082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.415082 (E_RNA)
where:
Base-Base interactions energy: -126.736
where: short stacking energy: -50.558
Base-Backbone interact. energy: -0.958
local terms energy: -57.721089
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -5.037
tors. eta vs tors. theta energy: -10.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -189.870822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.870822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.870822 (E_RNA)
where:
Base-Base interactions energy: -122.748
where: short stacking energy: -60.626
Base-Backbone interact. energy: -0.025
local terms energy: -67.097290
where:
bonds (distance) C4'-P energy: -14.974
bonds (distance) P-C4' energy: -11.001
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -14.604
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: 2
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -195.274851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.274851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.274851 (E_RNA)
where:
Base-Base interactions energy: -121.281
where: short stacking energy: -61.973
Base-Backbone interact. energy: -0.001
local terms energy: -73.992253
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -12.787
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -20.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -82.342203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.342203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.342203 (E_RNA)
where:
Base-Base interactions energy: -32.878
where: short stacking energy: -32.059
Base-Backbone interact. energy: -1.038
local terms energy: -48.425940
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -9.045
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -2.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -158.984784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.984784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.984784 (E_RNA)
where:
Base-Base interactions energy: -106.030
where: short stacking energy: -51.723
Base-Backbone interact. energy: 0.359
local terms energy: -53.313926
where:
bonds (distance) C4'-P energy: -9.884
bonds (distance) P-C4' energy: -11.197
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -5.239
tors. eta vs tors. theta energy: -15.135
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: 4
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -79.095766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.095766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.095766 (E_RNA)
where:
Base-Base interactions energy: -42.143
where: short stacking energy: -18.693
Base-Backbone interact. energy: -0.464
local terms energy: -36.488867
where:
bonds (distance) C4'-P energy: -11.638
bonds (distance) P-C4' energy: -10.362
flat angles C4'-P-C4' energy: -8.655
flat angles P-C4'-P energy: -7.410
tors. eta vs tors. theta energy: 1.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -238.498308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.498308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.498308 (E_RNA)
where:
Base-Base interactions energy: -159.644
where: short stacking energy: -74.198
Base-Backbone interact. energy: -0.133
local terms energy: -78.721176
where:
bonds (distance) C4'-P energy: -15.107
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -13.099
tors. eta vs tors. theta energy: -20.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -225.641411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.641411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.641411 (E_RNA)
where:
Base-Base interactions energy: -142.681
where: short stacking energy: -73.296
Base-Backbone interact. energy: -0.004
local terms energy: -82.955930
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -12.870
tors. eta vs tors. theta energy: -23.012
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: 3, replica: 3
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -230.376758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.376758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.376758 (E_RNA)
where:
Base-Base interactions energy: -155.366
where: short stacking energy: -81.408
Base-Backbone interact. energy: -0.621
local terms energy: -74.390110
where:
bonds (distance) C4'-P energy: -9.954
bonds (distance) P-C4' energy: -12.611
flat angles C4'-P-C4' energy: -19.058
flat angles P-C4'-P energy: -10.869
tors. eta vs tors. theta energy: -21.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -196.540568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.540568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.540568 (E_RNA)
where:
Base-Base interactions energy: -133.109
where: short stacking energy: -64.100
Base-Backbone interact. energy: -0.664
local terms energy: -62.767667
where:
bonds (distance) C4'-P energy: -9.971
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -12.336
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: -17.635
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: 7
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -211.458885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.458885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.458885 (E_RNA)
where:
Base-Base interactions energy: -143.639
where: short stacking energy: -72.225
Base-Backbone interact. energy: -0.428
local terms energy: -67.392189
where:
bonds (distance) C4'-P energy: -16.340
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -10.190
flat angles P-C4'-P energy: -7.892
tors. eta vs tors. theta energy: -20.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -182.965468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.965468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.965468 (E_RNA)
where:
Base-Base interactions energy: -122.305
where: short stacking energy: -52.853
Base-Backbone interact. energy: -0.416
local terms energy: -60.244159
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -13.102
flat angles P-C4'-P energy: -8.004
tors. eta vs tors. theta energy: -10.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -199.300980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.300980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.300980 (E_RNA)
where:
Base-Base interactions energy: -129.348
where: short stacking energy: -63.379
Base-Backbone interact. energy: 0.063
local terms energy: -70.015820
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: -18.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -171.775527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.775527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.775527 (E_RNA)
where:
Base-Base interactions energy: -114.200
where: short stacking energy: -48.227
Base-Backbone interact. energy: -0.769
local terms energy: -56.806726
where:
bonds (distance) C4'-P energy: -8.725
bonds (distance) P-C4' energy: -11.658
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -15.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -85.884533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.884533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.884533 (E_RNA)
where:
Base-Base interactions energy: -40.349
where: short stacking energy: -21.726
Base-Backbone interact. energy: -0.451
local terms energy: -45.084711
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -5.644
flat angles P-C4'-P energy: -4.326
tors. eta vs tors. theta energy: -3.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -75.537171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.537171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.537171 (E_RNA)
where:
Base-Base interactions energy: -23.583
where: short stacking energy: -23.296
Base-Backbone interact. energy: -0.103
local terms energy: -51.851643
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -6.620
tors. eta vs tors. theta energy: -5.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -228.772504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.772504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.772504 (E_RNA)
where:
Base-Base interactions energy: -153.786
where: short stacking energy: -73.957
Base-Backbone interact. energy: -0.001
local terms energy: -74.985258
where:
bonds (distance) C4'-P energy: -12.562
bonds (distance) P-C4' energy: -12.238
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -12.681
tors. eta vs tors. theta energy: -22.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -228.410909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.410909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.410909 (E_RNA)
where:
Base-Base interactions energy: -151.100
where: short stacking energy: -70.168
Base-Backbone interact. energy: -0.003
local terms energy: -77.308135
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -17.845
flat angles P-C4'-P energy: -11.092
tors. eta vs tors. theta energy: -17.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -223.593574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.593574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.593574 (E_RNA)
where:
Base-Base interactions energy: -144.878
where: short stacking energy: -72.161
Base-Backbone interact. energy: -0.159
local terms energy: -78.556758
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -12.003
flat angles P-C4'-P energy: -12.275
tors. eta vs tors. theta energy: -21.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -195.831994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.831994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.831994 (E_RNA)
where:
Base-Base interactions energy: -128.317
where: short stacking energy: -66.636
Base-Backbone interact. energy: -0.028
local terms energy: -67.487561
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -19.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -204.605514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.605514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.605514 (E_RNA)
where:
Base-Base interactions energy: -133.101
where: short stacking energy: -60.392
Base-Backbone interact. energy: -0.192
local terms energy: -71.312147
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -9.785
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: 6, replica: 7
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -187.049973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.049973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.049973 (E_RNA)
where:
Base-Base interactions energy: -126.587
where: short stacking energy: -56.095
Base-Backbone interact. energy: -0.079
local terms energy: -60.384842
where:
bonds (distance) C4'-P energy: -10.473
bonds (distance) P-C4' energy: -9.635
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -8.831
tors. eta vs tors. theta energy: -14.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -185.171410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.171410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.171410 (E_RNA)
where:
Base-Base interactions energy: -132.060
where: short stacking energy: -66.089
Base-Backbone interact. energy: -0.045
local terms energy: -53.066672
where:
bonds (distance) C4'-P energy: -7.156
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -12.153
flat angles P-C4'-P energy: -5.321
tors. eta vs tors. theta energy: -14.362
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: 1
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -163.791857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.791857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.791857 (E_RNA)
where:
Base-Base interactions energy: -102.675
where: short stacking energy: -39.002
Base-Backbone interact. energy: -0.371
local terms energy: -60.746103
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -10.986
flat angles C4'-P-C4' energy: -13.159
flat angles P-C4'-P energy: -11.021
tors. eta vs tors. theta energy: -11.301
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: 4
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -83.274369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.274369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.274369 (E_RNA)
where:
Base-Base interactions energy: -40.733
where: short stacking energy: -31.113
Base-Backbone interact. energy: -0.177
local terms energy: -42.364325
where:
bonds (distance) C4'-P energy: -8.386
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -10.083
flat angles P-C4'-P energy: -7.490
tors. eta vs tors. theta energy: -0.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -68.219935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.219935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.219935 (E_RNA)
where:
Base-Base interactions energy: -21.369
where: short stacking energy: -21.369
Base-Backbone interact. energy: -0.123
local terms energy: -46.727538
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -13.334
flat angles C4'-P-C4' energy: -10.891
flat angles P-C4'-P energy: -8.081
tors. eta vs tors. theta energy: 0.898
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: 235
Temperature: 0.900000
Total energy: -234.019709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.019709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.019709 (E_RNA)
where:
Base-Base interactions energy: -156.401
where: short stacking energy: -73.463
Base-Backbone interact. energy: -0.291
local terms energy: -77.327314
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -21.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -231.119727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.119727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.119727 (E_RNA)
where:
Base-Base interactions energy: -150.245
where: short stacking energy: -78.585
Base-Backbone interact. energy: -0.308
local terms energy: -80.566043
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -22.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -222.658634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.658634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.658634 (E_RNA)
where:
Base-Base interactions energy: -146.272
where: short stacking energy: -67.906
Base-Backbone interact. energy: -0.620
local terms energy: -75.766768
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -14.443
flat angles C4'-P-C4' energy: -18.710
flat angles P-C4'-P energy: -8.757
tors. eta vs tors. theta energy: -18.131
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: 235
Temperature: 1.050000
Total energy: -218.331018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.331018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.331018 (E_RNA)
where:
Base-Base interactions energy: -141.583
where: short stacking energy: -64.652
Base-Backbone interact. energy: -0.367
local terms energy: -76.380382
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -12.603
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -12.761
tors. eta vs tors. theta energy: -22.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -185.683560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.683560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.683560 (E_RNA)
where:
Base-Base interactions energy: -123.571
where: short stacking energy: -48.582
Base-Backbone interact. energy: -0.607
local terms energy: -61.505608
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -7.333
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: -12.270
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: 6
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -199.941005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.941005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.941005 (E_RNA)
where:
Base-Base interactions energy: -136.523
where: short stacking energy: -66.711
Base-Backbone interact. energy: -0.692
local terms energy: -62.725737
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -12.937
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -7.568
tors. eta vs tors. theta energy: -20.280
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: 235
Temperature: 1.200000
Total energy: -195.396687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.396687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.396687 (E_RNA)
where:
Base-Base interactions energy: -129.481
where: short stacking energy: -62.849
Base-Backbone interact. energy: -0.035
local terms energy: -65.881443
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -14.248
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: 1
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -166.972384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.972384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.972384 (E_RNA)
where:
Base-Base interactions energy: -101.426
where: short stacking energy: -46.199
Base-Backbone interact. energy: -0.180
local terms energy: -65.366027
where:
bonds (distance) C4'-P energy: -9.846
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -10.632
flat angles P-C4'-P energy: -13.680
tors. eta vs tors. theta energy: -17.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -85.943826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.943826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.943826 (E_RNA)
where:
Base-Base interactions energy: -29.653
where: short stacking energy: -26.002
Base-Backbone interact. energy: 0.037
local terms energy: -56.327208
where:
bonds (distance) C4'-P energy: -11.728
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -16.633
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -2.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -87.831215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.831215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.831215 (E_RNA)
where:
Base-Base interactions energy: -30.971
where: short stacking energy: -25.043
Base-Backbone interact. energy: -0.982
local terms energy: -55.877931
where:
bonds (distance) C4'-P energy: -12.961
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -7.356
tors. eta vs tors. theta energy: -2.661
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: 3
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -235.194541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.194541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.194541 (E_RNA)
where:
Base-Base interactions energy: -157.474
where: short stacking energy: -75.829
Base-Backbone interact. energy: -0.723
local terms energy: -76.997401
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -21.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -230.167054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.167054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.167054 (E_RNA)
where:
Base-Base interactions energy: -146.573
where: short stacking energy: -71.103
Base-Backbone interact. energy: -0.086
local terms energy: -83.508528
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -17.894
flat angles P-C4'-P energy: -13.611
tors. eta vs tors. theta energy: -22.282
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: 3, replica: 10
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -225.566569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.566569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.566569 (E_RNA)
where:
Base-Base interactions energy: -148.631
where: short stacking energy: -72.421
Base-Backbone interact. energy: -0.001
local terms energy: -76.933990
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -19.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -218.579980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.579980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.579980 (E_RNA)
where:
Base-Base interactions energy: -143.505
where: short stacking energy: -71.808
Base-Backbone interact. energy: -0.001
local terms energy: -75.074768
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -15.021
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -12.868
tors. eta vs tors. theta energy: -19.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -210.670038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.670038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.670038 (E_RNA)
where:
Base-Base interactions energy: -134.390
where: short stacking energy: -66.115
Base-Backbone interact. energy: 0.471
local terms energy: -76.751453
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -14.487
flat angles C4'-P-C4' energy: -16.091
flat angles P-C4'-P energy: -12.414
tors. eta vs tors. theta energy: -18.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -171.270212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.270212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.270212 (E_RNA)
where:
Base-Base interactions energy: -119.440
where: short stacking energy: -56.343
Base-Backbone interact. energy: -0.107
local terms energy: -51.723433
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -8.221
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -0.056
tors. eta vs tors. theta energy: -15.641
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: 1
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -141.744204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.744204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.744204 (E_RNA)
where:
Base-Base interactions energy: -83.912
where: short stacking energy: -41.945
Base-Backbone interact. energy: -0.069
local terms energy: -57.763737
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -8.749
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -7.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -170.050497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.050497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.050497 (E_RNA)
where:
Base-Base interactions energy: -111.722
where: short stacking energy: -52.010
Base-Backbone interact. energy: -0.134
local terms energy: -58.194499
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -13.960
flat angles C4'-P-C4' energy: -16.017
flat angles P-C4'-P energy: -5.672
tors. eta vs tors. theta energy: -8.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -79.087648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.087648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.087648 (E_RNA)
where:
Base-Base interactions energy: -33.680
where: short stacking energy: -33.382
Base-Backbone interact. energy: -0.207
local terms energy: -45.200845
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -13.615
flat angles C4'-P-C4' energy: -11.661
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: 0.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -93.644164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.644164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.644164 (E_RNA)
where:
Base-Base interactions energy: -37.690
where: short stacking energy: -35.736
Base-Backbone interact. energy: -0.013
local terms energy: -55.941184
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -12.565
flat angles P-C4'-P energy: -7.724
tors. eta vs tors. theta energy: -6.859
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: 3
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -226.723512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.723512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.723512 (E_RNA)
where:
Base-Base interactions energy: -149.493
where: short stacking energy: -67.855
Base-Backbone interact. energy: -0.284
local terms energy: -76.945917
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -13.691
tors. eta vs tors. theta energy: -19.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -222.996964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.996964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.996964 (E_RNA)
where:
Base-Base interactions energy: -147.806
where: short stacking energy: -62.584
Base-Backbone interact. energy: -0.005
local terms energy: -75.185794
where:
bonds (distance) C4'-P energy: -18.321
bonds (distance) P-C4' energy: -16.641
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -14.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -224.864364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.864364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.864364 (E_RNA)
where:
Base-Base interactions energy: -151.742
where: short stacking energy: -73.025
Base-Backbone interact. energy: -0.005
local terms energy: -73.117348
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -12.034
flat angles C4'-P-C4' energy: -17.757
flat angles P-C4'-P energy: -8.468
tors. eta vs tors. theta energy: -18.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -222.599617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.599617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.599617 (E_RNA)
where:
Base-Base interactions energy: -151.185
where: short stacking energy: -69.377
Base-Backbone interact. energy: -0.440
local terms energy: -70.974577
where:
bonds (distance) C4'-P energy: -12.104
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -17.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -200.465877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.465877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.465877 (E_RNA)
where:
Base-Base interactions energy: -123.384
where: short stacking energy: -65.092
Base-Backbone interact. energy: -0.085
local terms energy: -76.996889
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -12.919
tors. eta vs tors. theta energy: -17.011
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: 1
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -183.873241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.873241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.873241 (E_RNA)
where:
Base-Base interactions energy: -117.416
where: short stacking energy: -58.816
Base-Backbone interact. energy: -0.660
local terms energy: -65.797746
where:
bonds (distance) C4'-P energy: -11.800
bonds (distance) P-C4' energy: -12.104
flat angles C4'-P-C4' energy: -17.674
flat angles P-C4'-P energy: -8.608
tors. eta vs tors. theta energy: -15.612
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: 7, replica: 5
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -167.019137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.019137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.019137 (E_RNA)
where:
Base-Base interactions energy: -100.033
where: short stacking energy: -42.266
Base-Backbone interact. energy: -0.101
local terms energy: -66.884925
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -12.147
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -11.226
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: 7
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -179.879244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.879244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.879244 (E_RNA)
where:
Base-Base interactions energy: -113.918
where: short stacking energy: -59.254
Base-Backbone interact. energy: -0.132
local terms energy: -65.829514
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -12.233
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -9.745
tors. eta vs tors. theta energy: -14.079
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: 9, replica: 9
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -89.410827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.410827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.410827 (E_RNA)
where:
Base-Base interactions energy: -44.003
where: short stacking energy: -39.182
Base-Backbone interact. energy: 0.111
local terms energy: -45.518811
where:
bonds (distance) C4'-P energy: -10.948
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -8.180
flat angles P-C4'-P energy: -3.643
tors. eta vs tors. theta energy: -8.091
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: 10, replica: 4
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -77.531026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.531026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.531026 (E_RNA)
where:
Base-Base interactions energy: -30.742
where: short stacking energy: -24.076
Base-Backbone interact. energy: -0.083
local terms energy: -46.706085
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -10.329
flat angles P-C4'-P energy: -7.499
tors. eta vs tors. theta energy: 0.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -233.569052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.569052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.569052 (E_RNA)
where:
Base-Base interactions energy: -155.377
where: short stacking energy: -81.699
Base-Backbone interact. energy: -0.001
local terms energy: -78.191660
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -12.819
tors. eta vs tors. theta energy: -21.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -231.892557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.892557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.892557 (E_RNA)
where:
Base-Base interactions energy: -158.332
where: short stacking energy: -73.502
Base-Backbone interact. energy: -0.052
local terms energy: -73.508119
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -20.742
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: 6
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -225.685919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.685919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.685919 (E_RNA)
where:
Base-Base interactions energy: -152.983
where: short stacking energy: -71.442
Base-Backbone interact. energy: -0.027
local terms energy: -72.676416
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -17.747
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: 8
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -215.374841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.374841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.374841 (E_RNA)
where:
Base-Base interactions energy: -144.116
where: short stacking energy: -70.905
Base-Backbone interact. energy: 1.332
local terms energy: -72.591263
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -12.787
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -8.017
tors. eta vs tors. theta energy: -19.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -188.779362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.779362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.779362 (E_RNA)
where:
Base-Base interactions energy: -120.477
where: short stacking energy: -51.782
Base-Backbone interact. energy: -0.032
local terms energy: -68.270519
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: -15.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -197.417037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.417037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.417037 (E_RNA)
where:
Base-Base interactions energy: -134.975
where: short stacking energy: -70.655
Base-Backbone interact. energy: -0.140
local terms energy: -62.302182
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -11.651
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -6.797
tors. eta vs tors. theta energy: -17.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -192.316604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.316604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.316604 (E_RNA)
where:
Base-Base interactions energy: -126.618
where: short stacking energy: -61.759
Base-Backbone interact. energy: -0.004
local terms energy: -65.694470
where:
bonds (distance) C4'-P energy: -9.347
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -12.974
flat angles P-C4'-P energy: -6.957
tors. eta vs tors. theta energy: -20.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -164.069568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.069568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.069568 (E_RNA)
where:
Base-Base interactions energy: -108.568
where: short stacking energy: -49.526
Base-Backbone interact. energy: -0.135
local terms energy: -55.366570
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -11.869
flat angles P-C4'-P energy: -8.027
tors. eta vs tors. theta energy: -10.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -83.622888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.622888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.622888 (E_RNA)
where:
Base-Base interactions energy: -30.775
where: short stacking energy: -30.775
Base-Backbone interact. energy: -0.195
local terms energy: -52.652706
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -15.197
flat angles C4'-P-C4' energy: -11.615
flat angles P-C4'-P energy: -5.977
tors. eta vs tors. theta energy: -7.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -87.800147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.800147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.800147 (E_RNA)
where:
Base-Base interactions energy: -47.522
where: short stacking energy: -25.182
Base-Backbone interact. energy: -0.134
local terms energy: -40.143935
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -9.380
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -7.159
tors. eta vs tors. theta energy: 3.947
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: 1, replica: 3
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -236.563947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.563947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.563947 (E_RNA)
where:
Base-Base interactions energy: -160.990
where: short stacking energy: -73.589
Base-Backbone interact. energy: -0.001
local terms energy: -75.572267
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -16.461
flat angles P-C4'-P energy: -10.325
tors. eta vs tors. theta energy: -19.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -221.458698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.458698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.458698 (E_RNA)
where:
Base-Base interactions energy: -140.619
where: short stacking energy: -68.618
Base-Backbone interact. energy: -0.020
local terms energy: -80.819819
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -17.445
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -20.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -219.974025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.974025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.974025 (E_RNA)
where:
Base-Base interactions energy: -152.301
where: short stacking energy: -70.494
Base-Backbone interact. energy: -0.044
local terms energy: -67.629611
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -11.328
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: -19.459
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: 239
Temperature: 1.050000
Total energy: -198.743670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.743670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.743670 (E_RNA)
where:
Base-Base interactions energy: -124.351
where: short stacking energy: -57.040
Base-Backbone interact. energy: -0.200
local terms energy: -74.192375
where:
bonds (distance) C4'-P energy: -17.001
bonds (distance) P-C4' energy: -15.175
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -12.291
tors. eta vs tors. theta energy: -14.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -207.732894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.732894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.732894 (E_RNA)
where:
Base-Base interactions energy: -138.490
where: short stacking energy: -71.406
Base-Backbone interact. energy: -0.583
local terms energy: -68.660400
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -17.115
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -19.200
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: 2
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -200.286944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.286944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.286944 (E_RNA)
where:
Base-Base interactions energy: -130.488
where: short stacking energy: -63.659
Base-Backbone interact. energy: -0.062
local terms energy: -69.736777
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -14.248
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -19.046
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: 7
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -200.367249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.367249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.367249 (E_RNA)
where:
Base-Base interactions energy: -132.583
where: short stacking energy: -69.651
Base-Backbone interact. energy: -0.008
local terms energy: -67.777003
where:
bonds (distance) C4'-P energy: -9.209
bonds (distance) P-C4' energy: -13.058
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -11.240
tors. eta vs tors. theta energy: -20.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -167.233220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.233220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.233220 (E_RNA)
where:
Base-Base interactions energy: -114.458
where: short stacking energy: -46.704
Base-Backbone interact. energy: -0.168
local terms energy: -52.607937
where:
bonds (distance) C4'-P energy: -13.506
bonds (distance) P-C4' energy: -15.595
flat angles C4'-P-C4' energy: -10.798
flat angles P-C4'-P energy: -3.558
tors. eta vs tors. theta energy: -9.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -78.988362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.988362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.988362 (E_RNA)
where:
Base-Base interactions energy: -32.147
where: short stacking energy: -21.262
Base-Backbone interact. energy: -0.084
local terms energy: -46.757620
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -10.161
flat angles C4'-P-C4' energy: -8.560
flat angles P-C4'-P energy: -13.597
tors. eta vs tors. theta energy: 0.988
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: 9
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -76.428489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.428489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.428489 (E_RNA)
where:
Base-Base interactions energy: -27.327
where: short stacking energy: -23.996
Base-Backbone interact. energy: -0.088
local terms energy: -49.013096
where:
bonds (distance) C4'-P energy: -9.814
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -8.857
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -3.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -234.597599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.597599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.597599 (E_RNA)
where:
Base-Base interactions energy: -159.458
where: short stacking energy: -69.666
Base-Backbone interact. energy: -0.811
local terms energy: -74.327791
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -20.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -221.655417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.655417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.655417 (E_RNA)
where:
Base-Base interactions energy: -145.686
where: short stacking energy: -72.539
Base-Backbone interact. energy: -0.002
local terms energy: -75.967588
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -21.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -201.299643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.299643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.299643 (E_RNA)
where:
Base-Base interactions energy: -125.790
where: short stacking energy: -66.495
Base-Backbone interact. energy: 0.610
local terms energy: -76.119229
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -17.500
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -17.504
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: 10
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -216.364521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.364521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.364521 (E_RNA)
where:
Base-Base interactions energy: -139.932
where: short stacking energy: -66.579
Base-Backbone interact. energy: -0.024
local terms energy: -76.408074
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -15.210
flat angles C4'-P-C4' energy: -19.021
flat angles P-C4'-P energy: -11.156
tors. eta vs tors. theta energy: -16.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -206.866458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.866458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.866458 (E_RNA)
where:
Base-Base interactions energy: -132.233
where: short stacking energy: -55.434
Base-Backbone interact. energy: -0.124
local terms energy: -74.508811
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -11.854
tors. eta vs tors. theta energy: -15.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -198.612112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.612112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.612112 (E_RNA)
where:
Base-Base interactions energy: -129.214
where: short stacking energy: -63.663
Base-Backbone interact. energy: 0.874
local terms energy: -70.271965
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -12.591
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: -17.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -186.565887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.565887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.565887 (E_RNA)
where:
Base-Base interactions energy: -124.775
where: short stacking energy: -60.470
Base-Backbone interact. energy: -0.088
local terms energy: -61.702850
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -9.428
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -7.382
tors. eta vs tors. theta energy: -15.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -149.033928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.033928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.033928 (E_RNA)
where:
Base-Base interactions energy: -97.289
where: short stacking energy: -50.278
Base-Backbone interact. energy: -0.043
local terms energy: -51.701233
where:
bonds (distance) C4'-P energy: -7.693
bonds (distance) P-C4' energy: -9.691
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -9.271
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: 4
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -83.283858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.283858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.283858 (E_RNA)
where:
Base-Base interactions energy: -29.134
where: short stacking energy: -27.614
Base-Backbone interact. energy: 1.105
local terms energy: -55.254507
where:
bonds (distance) C4'-P energy: -11.186
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -9.000
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: 9
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -88.769150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.769150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.769150 (E_RNA)
where:
Base-Base interactions energy: -34.044
where: short stacking energy: -34.044
Base-Backbone interact. energy: -0.045
local terms energy: -54.680178
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -17.408
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -8.240
tors. eta vs tors. theta energy: -0.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -231.644605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.644605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.644605 (E_RNA)
where:
Base-Base interactions energy: -153.064
where: short stacking energy: -73.700
Base-Backbone interact. energy: -0.001
local terms energy: -78.580234
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -12.693
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -13.355
tors. eta vs tors. theta energy: -21.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -234.946928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.946928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.946928 (E_RNA)
where:
Base-Base interactions energy: -161.307
where: short stacking energy: -79.163
Base-Backbone interact. energy: -0.009
local terms energy: -73.630931
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -15.129
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -21.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -196.804221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.804221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.804221 (E_RNA)
where:
Base-Base interactions energy: -130.508
where: short stacking energy: -60.702
Base-Backbone interact. energy: -0.056
local terms energy: -66.240181
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -2.526
tors. eta vs tors. theta energy: -15.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -209.356958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.356958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.356958 (E_RNA)
where:
Base-Base interactions energy: -141.145
where: short stacking energy: -61.885
Base-Backbone interact. energy: 1.875
local terms energy: -70.086380
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -10.978
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -9.832
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: 5, replica: 10
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -216.305207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.305207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.305207 (E_RNA)
where:
Base-Base interactions energy: -139.732
where: short stacking energy: -68.393
Base-Backbone interact. energy: -0.002
local terms energy: -76.570575
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -21.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -208.278566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.278566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.278566 (E_RNA)
where:
Base-Base interactions energy: -129.975
where: short stacking energy: -63.422
Base-Backbone interact. energy: -0.463
local terms energy: -77.839697
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -12.572
tors. eta vs tors. theta energy: -18.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -213.904486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.904486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.904486 (E_RNA)
where:
Base-Base interactions energy: -142.959
where: short stacking energy: -69.061
Base-Backbone interact. energy: -0.177
local terms energy: -70.768993
where:
bonds (distance) C4'-P energy: -11.413
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -17.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -85.144796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.144796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.144796 (E_RNA)
where:
Base-Base interactions energy: -30.135
where: short stacking energy: -30.135
Base-Backbone interact. energy: 0.607
local terms energy: -55.616700
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -3.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -162.282811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.282811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.282811 (E_RNA)
where:
Base-Base interactions energy: -100.698
where: short stacking energy: -48.245
Base-Backbone interact. energy: -0.001
local terms energy: -61.583805
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -12.642
flat angles C4'-P-C4' energy: -17.328
flat angles P-C4'-P energy: -4.422
tors. eta vs tors. theta energy: -12.945
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: 9
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -71.722959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.722959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.722959 (E_RNA)
where:
Base-Base interactions energy: -27.799
where: short stacking energy: -26.771
Base-Backbone interact. energy: 0.853
local terms energy: -44.776634
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -11.341
flat angles C4'-P-C4' energy: -9.753
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -1.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -235.381962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.381962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.381962 (E_RNA)
where:
Base-Base interactions energy: -153.827
where: short stacking energy: -80.894
Base-Backbone interact. energy: -0.123
local terms energy: -81.432128
where:
bonds (distance) C4'-P energy: -16.782
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -8.907
tors. eta vs tors. theta energy: -23.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -229.598355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.598355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.598355 (E_RNA)
where:
Base-Base interactions energy: -150.963
where: short stacking energy: -72.595
Base-Backbone interact. energy: -0.002
local terms energy: -78.633690
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -15.341
flat angles C4'-P-C4' energy: -16.106
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -22.533
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: 8
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -215.073020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.073020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.073020 (E_RNA)
where:
Base-Base interactions energy: -141.326
where: short stacking energy: -74.563
Base-Backbone interact. energy: -0.339
local terms energy: -73.407874
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -22.321
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: 1
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -190.675405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.675405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.675405 (E_RNA)
where:
Base-Base interactions energy: -119.309
where: short stacking energy: -59.367
Base-Backbone interact. energy: -0.044
local terms energy: -71.322511
where:
bonds (distance) C4'-P energy: -11.210
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -8.954
tors. eta vs tors. theta energy: -19.450
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: 10
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -210.285427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.285427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.285427 (E_RNA)
where:
Base-Base interactions energy: -139.943
where: short stacking energy: -66.464
Base-Backbone interact. energy: -0.007
local terms energy: -70.335565
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -15.320
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -20.223
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: 6, replica: 7
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -206.227473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.227473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.227473 (E_RNA)
where:
Base-Base interactions energy: -131.981
where: short stacking energy: -73.039
Base-Backbone interact. energy: -0.093
local terms energy: -74.152977
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -13.257
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -20.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -196.388137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.388137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.388137 (E_RNA)
where:
Base-Base interactions energy: -126.875
where: short stacking energy: -68.328
Base-Backbone interact. energy: -0.009
local terms energy: -69.504903
where:
bonds (distance) C4'-P energy: -12.510
bonds (distance) P-C4' energy: -13.764
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -17.702
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: 4
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -86.690426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.690426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.690426 (E_RNA)
where:
Base-Base interactions energy: -38.643
where: short stacking energy: -38.643
Base-Backbone interact. energy: -0.071
local terms energy: -47.975998
where:
bonds (distance) C4'-P energy: -8.982
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -6.199
tors. eta vs tors. theta energy: -0.316
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: 9
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -89.399085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.399085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.399085 (E_RNA)
where:
Base-Base interactions energy: -35.775
where: short stacking energy: -28.144
Base-Backbone interact. energy: -0.207
local terms energy: -53.416725
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -11.543
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -4.113
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: 5
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -133.940842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.940842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.940842 (E_RNA)
where:
Base-Base interactions energy: -78.488
where: short stacking energy: -33.176
Base-Backbone interact. energy: -0.481
local terms energy: -54.972526
where:
bonds (distance) C4'-P energy: -12.394
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -0.754
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: 3
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -234.078272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.078272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.078272 (E_RNA)
where:
Base-Base interactions energy: -154.657
where: short stacking energy: -75.105
Base-Backbone interact. energy: -0.003
local terms energy: -79.417677
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -12.940
tors. eta vs tors. theta energy: -22.286
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: 8
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -226.217994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.217994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.217994 (E_RNA)
where:
Base-Base interactions energy: -147.118
where: short stacking energy: -72.530
Base-Backbone interact. energy: -0.006
local terms energy: -79.094253
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -14.236
tors. eta vs tors. theta energy: -20.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -228.886168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.886168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.886168 (E_RNA)
where:
Base-Base interactions energy: -150.312
where: short stacking energy: -78.891
Base-Backbone interact. energy: -0.499
local terms energy: -78.075499
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: -21.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -213.722621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.722621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.722621 (E_RNA)
where:
Base-Base interactions energy: -134.608
where: short stacking energy: -69.319
Base-Backbone interact. energy: -0.003
local terms energy: -79.111727
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -13.768
tors. eta vs tors. theta energy: -17.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -188.655387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.655387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.655387 (E_RNA)
where:
Base-Base interactions energy: -121.778
where: short stacking energy: -60.080
Base-Backbone interact. energy: 0.025
local terms energy: -66.902388
where:
bonds (distance) C4'-P energy: -10.649
bonds (distance) P-C4' energy: -12.167
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -17.261
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: 7
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -193.730000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.730000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.730000 (E_RNA)
where:
Base-Base interactions energy: -124.286
where: short stacking energy: -47.722
Base-Backbone interact. energy: -0.629
local terms energy: -68.815872
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -12.302
flat angles P-C4'-P energy: -9.173
tors. eta vs tors. theta energy: -15.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -193.496472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.496472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.496472 (E_RNA)
where:
Base-Base interactions energy: -126.754
where: short stacking energy: -64.561
Base-Backbone interact. energy: -0.244
local terms energy: -66.498407
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -2.412
tors. eta vs tors. theta energy: -17.008
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: 243
Temperature: 1.250000
Total energy: -90.194603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.194603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.194603 (E_RNA)
where:
Base-Base interactions energy: -38.163
where: short stacking energy: -35.787
Base-Backbone interact. energy: -0.011
local terms energy: -52.020121
where:
bonds (distance) C4'-P energy: -13.042
bonds (distance) P-C4' energy: -12.299
flat angles C4'-P-C4' energy: -11.931
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -4.765
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: 4
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -76.156576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.156576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.156576 (E_RNA)
where:
Base-Base interactions energy: -36.649
where: short stacking energy: -28.627
Base-Backbone interact. energy: -0.251
local terms energy: -39.256437
where:
bonds (distance) C4'-P energy: -8.576
bonds (distance) P-C4' energy: -12.284
flat angles C4'-P-C4' energy: -11.583
flat angles P-C4'-P energy: -8.683
tors. eta vs tors. theta energy: 1.869
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: 5
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -77.477229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.477229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.477229 (E_RNA)
where:
Base-Base interactions energy: -25.077
where: short stacking energy: -19.359
Base-Backbone interact. energy: -0.181
local terms energy: -52.218400
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -11.660
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: 1.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -235.588922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.588922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.588922 (E_RNA)
where:
Base-Base interactions energy: -152.428
where: short stacking energy: -71.501
Base-Backbone interact. energy: -1.178
local terms energy: -81.982688
where:
bonds (distance) C4'-P energy: -16.149
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -12.110
tors. eta vs tors. theta energy: -23.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -217.773908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.773908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.773908 (E_RNA)
where:
Base-Base interactions energy: -135.139
where: short stacking energy: -75.549
Base-Backbone interact. energy: -0.049
local terms energy: -82.585387
where:
bonds (distance) C4'-P energy: -17.245
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -16.984
flat angles P-C4'-P energy: -14.589
tors. eta vs tors. theta energy: -18.090
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: 10
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -220.353174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.353174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.353174 (E_RNA)
where:
Base-Base interactions energy: -145.232
where: short stacking energy: -68.098
Base-Backbone interact. energy: -0.426
local terms energy: -74.695317
where:
bonds (distance) C4'-P energy: -11.682
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -9.281
tors. eta vs tors. theta energy: -21.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -223.642872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.642872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.642872 (E_RNA)
where:
Base-Base interactions energy: -145.298
where: short stacking energy: -67.591
Base-Backbone interact. energy: 0.302
local terms energy: -78.647007
where:
bonds (distance) C4'-P energy: -13.347
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: -22.649
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: 7
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -201.838193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.838193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.838193 (E_RNA)
where:
Base-Base interactions energy: -126.013
where: short stacking energy: -57.615
Base-Backbone interact. energy: -0.178
local terms energy: -75.646830
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -14.599
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -17.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -177.029717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.029717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.029717 (E_RNA)
where:
Base-Base interactions energy: -104.062
where: short stacking energy: -54.584
Base-Backbone interact. energy: -0.014
local terms energy: -72.954020
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -19.292
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: 2
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -205.737321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.737321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.737321 (E_RNA)
where:
Base-Base interactions energy: -137.283
where: short stacking energy: -67.181
Base-Backbone interact. energy: -0.091
local terms energy: -68.363593
where:
bonds (distance) C4'-P energy: -8.114
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -22.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -99.479310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.479310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.479310 (E_RNA)
where:
Base-Base interactions energy: -52.036
where: short stacking energy: -34.478
Base-Backbone interact. energy: -0.071
local terms energy: -47.371878
where:
bonds (distance) C4'-P energy: -11.281
bonds (distance) P-C4' energy: -12.601
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -5.754
tors. eta vs tors. theta energy: -2.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -85.494659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.494659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.494659 (E_RNA)
where:
Base-Base interactions energy: -28.904
where: short stacking energy: -28.904
Base-Backbone interact. energy: -0.048
local terms energy: -56.541858
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -13.658
flat angles C4'-P-C4' energy: -13.676
flat angles P-C4'-P energy: -12.473
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: 4
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -82.656367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.656367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.656367 (E_RNA)
where:
Base-Base interactions energy: -34.601
where: short stacking energy: -17.783
Base-Backbone interact. energy: 2.234
local terms energy: -50.290173
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -12.093
flat angles P-C4'-P energy: -7.127
tors. eta vs tors. theta energy: -1.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -229.747425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.747425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.747425 (E_RNA)
where:
Base-Base interactions energy: -150.955
where: short stacking energy: -70.336
Base-Backbone interact. energy: -0.322
local terms energy: -78.470105
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -12.157
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -21.965
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: 10
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -226.482031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.482031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.482031 (E_RNA)
where:
Base-Base interactions energy: -146.606
where: short stacking energy: -68.279
Base-Backbone interact. energy: -0.040
local terms energy: -79.836327
where:
bonds (distance) C4'-P energy: -15.223
bonds (distance) P-C4' energy: -15.355
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -10.575
tors. eta vs tors. theta energy: -22.428
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: 8
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -219.350175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.350175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.350175 (E_RNA)
where:
Base-Base interactions energy: -145.857
where: short stacking energy: -74.100
Base-Backbone interact. energy: -0.010
local terms energy: -73.483411
where:
bonds (distance) C4'-P energy: -12.837
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -18.601
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: 6
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -218.763825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.763825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.763825 (E_RNA)
where:
Base-Base interactions energy: -145.714
where: short stacking energy: -74.900
Base-Backbone interact. energy: -0.628
local terms energy: -72.421880
where:
bonds (distance) C4'-P energy: -12.725
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: -20.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -209.403147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.403147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.403147 (E_RNA)
where:
Base-Base interactions energy: -141.749
where: short stacking energy: -70.836
Base-Backbone interact. energy: 0.068
local terms energy: -67.721948
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -18.630
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -8.147
tors. eta vs tors. theta energy: -16.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -217.292823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.292823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.292823 (E_RNA)
where:
Base-Base interactions energy: -141.431
where: short stacking energy: -73.547
Base-Backbone interact. energy: -0.223
local terms energy: -75.638171
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -11.631
flat angles C4'-P-C4' energy: -17.842
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -18.889
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: 1
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -190.519586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.519586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.519586 (E_RNA)
where:
Base-Base interactions energy: -114.095
where: short stacking energy: -53.309
Base-Backbone interact. energy: -0.160
local terms energy: -76.265434
where:
bonds (distance) C4'-P energy: -13.534
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -17.380
flat angles P-C4'-P energy: -12.975
tors. eta vs tors. theta energy: -15.949
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: 5
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -86.270195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.270195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.270195 (E_RNA)
where:
Base-Base interactions energy: -31.243
where: short stacking energy: -31.243
Base-Backbone interact. energy: -0.145
local terms energy: -54.882399
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -6.981
tors. eta vs tors. theta energy: -4.130
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: 9
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -79.717954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.717954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.717954 (E_RNA)
where:
Base-Base interactions energy: -29.092
where: short stacking energy: -29.092
Base-Backbone interact. energy: 2.544
local terms energy: -53.170478
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -11.225
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -7.687
tors. eta vs tors. theta energy: -4.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -78.207859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.207859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.207859 (E_RNA)
where:
Base-Base interactions energy: -29.821
where: short stacking energy: -22.238
Base-Backbone interact. energy: -0.080
local terms energy: -48.306615
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -10.011
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -0.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -231.626674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.626674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.626674 (E_RNA)
where:
Base-Base interactions energy: -152.264
where: short stacking energy: -71.158
Base-Backbone interact. energy: -0.058
local terms energy: -79.304651
where:
bonds (distance) C4'-P energy: -14.834
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -21.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -225.466732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.466732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.466732 (E_RNA)
where:
Base-Base interactions energy: -150.966
where: short stacking energy: -68.463
Base-Backbone interact. energy: -0.355
local terms energy: -74.145510
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -16.219
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -17.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -224.730722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.730722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.730722 (E_RNA)
where:
Base-Base interactions energy: -146.078
where: short stacking energy: -69.376
Base-Backbone interact. energy: -0.926
local terms energy: -77.726464
where:
bonds (distance) C4'-P energy: -10.811
bonds (distance) P-C4' energy: -14.795
flat angles C4'-P-C4' energy: -18.669
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -22.219
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: 8
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -224.129449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.129449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.129449 (E_RNA)
where:
Base-Base interactions energy: -148.579
where: short stacking energy: -66.221
Base-Backbone interact. energy: -0.080
local terms energy: -75.470399
where:
bonds (distance) C4'-P energy: -11.123
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -12.595
tors. eta vs tors. theta energy: -18.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -199.865818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.865818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.865818 (E_RNA)
where:
Base-Base interactions energy: -132.436
where: short stacking energy: -72.016
Base-Backbone interact. energy: -0.587
local terms energy: -66.843463
where:
bonds (distance) C4'-P energy: -13.090
bonds (distance) P-C4' energy: -15.887
flat angles C4'-P-C4' energy: -16.017
flat angles P-C4'-P energy: -5.902
tors. eta vs tors. theta energy: -15.947
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: 7
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -194.699713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.699713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.699713 (E_RNA)
where:
Base-Base interactions energy: -128.955
where: short stacking energy: -66.573
Base-Backbone interact. energy: -0.272
local terms energy: -65.472075
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -13.111
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: -18.655
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: 1
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -145.063911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.063911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.063911 (E_RNA)
where:
Base-Base interactions energy: -90.964
where: short stacking energy: -47.658
Base-Backbone interact. energy: -0.161
local terms energy: -53.939611
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -13.597
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -4.297
tors. eta vs tors. theta energy: -7.487
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: 8, replica: 5
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -96.004341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.004341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.004341 (E_RNA)
where:
Base-Base interactions energy: -49.700
where: short stacking energy: -32.185
Base-Backbone interact. energy: -0.021
local terms energy: -46.283761
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -10.600
flat angles P-C4'-P energy: -2.129
tors. eta vs tors. theta energy: -3.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -73.370022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.370022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.370022 (E_RNA)
where:
Base-Base interactions energy: -33.304
where: short stacking energy: -33.304
Base-Backbone interact. energy: -0.390
local terms energy: -39.676651
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -8.258
flat angles C4'-P-C4' energy: -12.969
flat angles P-C4'-P energy: -6.744
tors. eta vs tors. theta energy: 2.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -79.425289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.425289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.425289 (E_RNA)
where:
Base-Base interactions energy: -31.368
where: short stacking energy: -31.368
Base-Backbone interact. energy: -0.066
local terms energy: -47.991406
where:
bonds (distance) C4'-P energy: -9.139
bonds (distance) P-C4' energy: -15.180
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: 0.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -238.613128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.613128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.613128 (E_RNA)
where:
Base-Base interactions energy: -155.730
where: short stacking energy: -73.489
Base-Backbone interact. energy: -0.002
local terms energy: -82.881312
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -16.306
flat angles P-C4'-P energy: -14.306
tors. eta vs tors. theta energy: -21.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -223.810462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.810462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.810462 (E_RNA)
where:
Base-Base interactions energy: -145.806
where: short stacking energy: -73.944
Base-Backbone interact. energy: -0.178
local terms energy: -77.826362
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -11.660
flat angles P-C4'-P energy: -14.421
tors. eta vs tors. theta energy: -21.827
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: 6
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -230.949450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.949450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.949450 (E_RNA)
where:
Base-Base interactions energy: -156.705
where: short stacking energy: -73.809
Base-Backbone interact. energy: -0.001
local terms energy: -74.243817
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -17.243
flat angles P-C4'-P energy: -5.323
tors. eta vs tors. theta energy: -21.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -217.476831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.476831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.476831 (E_RNA)
where:
Base-Base interactions energy: -142.096
where: short stacking energy: -70.390
Base-Backbone interact. energy: -0.193
local terms energy: -75.188057
where:
bonds (distance) C4'-P energy: -17.378
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -12.830
flat angles P-C4'-P energy: -12.744
tors. eta vs tors. theta energy: -20.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -209.151786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.151786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.151786 (E_RNA)
where:
Base-Base interactions energy: -141.259
where: short stacking energy: -63.734
Base-Backbone interact. energy: -0.119
local terms energy: -67.773591
where:
bonds (distance) C4'-P energy: -13.687
bonds (distance) P-C4' energy: -9.963
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -19.788
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: 6, replica: 7
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -210.338043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.338043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.338043 (E_RNA)
where:
Base-Base interactions energy: -135.931
where: short stacking energy: -63.595
Base-Backbone interact. energy: -0.008
local terms energy: -74.398445
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: -19.912
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: 1
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -156.900899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.900899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.900899 (E_RNA)
where:
Base-Base interactions energy: -90.970
where: short stacking energy: -44.231
Base-Backbone interact. energy: 0.619
local terms energy: -66.550878
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -13.130
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -11.629
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: 247
Temperature: 1.250000
Total energy: -87.042428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.042428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.042428 (E_RNA)
where:
Base-Base interactions energy: -42.825
where: short stacking energy: -35.961
Base-Backbone interact. energy: 1.277
local terms energy: -45.494201
where:
bonds (distance) C4'-P energy: -11.175
bonds (distance) P-C4' energy: -6.773
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -4.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -88.726706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.726706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.726706 (E_RNA)
where:
Base-Base interactions energy: -45.750
where: short stacking energy: -34.042
Base-Backbone interact. energy: 1.409
local terms energy: -44.385410
where:
bonds (distance) C4'-P energy: -12.431
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -11.705
flat angles P-C4'-P energy: -5.117
tors. eta vs tors. theta energy: -2.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -77.715385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.715385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.715385 (E_RNA)
where:
Base-Base interactions energy: -33.790
where: short stacking energy: -14.246
Base-Backbone interact. energy: 1.617
local terms energy: -45.542345
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -7.153
flat angles P-C4'-P energy: -8.935
tors. eta vs tors. theta energy: 1.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -225.658801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.658801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.658801 (E_RNA)
where:
Base-Base interactions energy: -151.525
where: short stacking energy: -72.589
Base-Backbone interact. energy: -0.380
local terms energy: -73.754045
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -17.522
flat angles P-C4'-P energy: -4.505
tors. eta vs tors. theta energy: -20.074
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: 10
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -229.468000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.468000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.468000 (E_RNA)
where:
Base-Base interactions energy: -155.820
where: short stacking energy: -76.197
Base-Backbone interact. energy: -0.001
local terms energy: -73.646640
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -13.571
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -21.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -215.955101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.955101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.955101 (E_RNA)
where:
Base-Base interactions energy: -143.892
where: short stacking energy: -68.584
Base-Backbone interact. energy: -0.293
local terms energy: -71.769314
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -14.658
flat angles C4'-P-C4' energy: -18.234
flat angles P-C4'-P energy: -10.353
tors. eta vs tors. theta energy: -14.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -213.505707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.505707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.505707 (E_RNA)
where:
Base-Base interactions energy: -143.198
where: short stacking energy: -67.448
Base-Backbone interact. energy: -0.600
local terms energy: -69.707216
where:
bonds (distance) C4'-P energy: -8.708
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: -19.281
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: 5, replica: 7
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -205.537180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.537180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.537180 (E_RNA)
where:
Base-Base interactions energy: -134.120
where: short stacking energy: -69.235
Base-Backbone interact. energy: -0.279
local terms energy: -71.137877
where:
bonds (distance) C4'-P energy: -11.400
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -18.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -208.754239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.754239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.754239 (E_RNA)
where:
Base-Base interactions energy: -140.112
where: short stacking energy: -59.521
Base-Backbone interact. energy: -0.041
local terms energy: -68.601069
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -16.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -176.742128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.742128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.742128 (E_RNA)
where:
Base-Base interactions energy: -108.175
where: short stacking energy: -54.299
Base-Backbone interact. energy: -0.954
local terms energy: -67.613182
where:
bonds (distance) C4'-P energy: -13.657
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -14.689
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: 4
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -83.254646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.254646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.254646 (E_RNA)
where:
Base-Base interactions energy: -26.926
where: short stacking energy: -26.926
Base-Backbone interact. energy: -0.183
local terms energy: -56.145319
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: -4.254
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: 9
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -96.163814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.163814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.163814 (E_RNA)
where:
Base-Base interactions energy: -40.871
where: short stacking energy: -30.287
Base-Backbone interact. energy: -0.056
local terms energy: -55.237222
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -7.240
tors. eta vs tors. theta energy: -5.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -74.758779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.758779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.758779 (E_RNA)
where:
Base-Base interactions energy: -26.813
where: short stacking energy: -18.871
Base-Backbone interact. energy: -0.373
local terms energy: -47.572989
where:
bonds (distance) C4'-P energy: -10.320
bonds (distance) P-C4' energy: -18.448
flat angles C4'-P-C4' energy: -9.422
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: -0.142
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: 3
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -233.687817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.687817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.687817 (E_RNA)
where:
Base-Base interactions energy: -151.468
where: short stacking energy: -70.282
Base-Backbone interact. energy: -0.177
local terms energy: -82.042530
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -18.250
flat angles P-C4'-P energy: -14.094
tors. eta vs tors. theta energy: -19.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -228.949994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.949994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.949994 (E_RNA)
where:
Base-Base interactions energy: -147.353
where: short stacking energy: -72.536
Base-Backbone interact. energy: -0.003
local terms energy: -81.594037
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -17.298
flat angles P-C4'-P energy: -13.036
tors. eta vs tors. theta energy: -22.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -222.568528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.568528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.568528 (E_RNA)
where:
Base-Base interactions energy: -147.758
where: short stacking energy: -71.006
Base-Backbone interact. energy: -0.003
local terms energy: -74.807290
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -21.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -208.138182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.138182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.138182 (E_RNA)
where:
Base-Base interactions energy: -139.014
where: short stacking energy: -62.250
Base-Backbone interact. energy: -1.042
local terms energy: -68.082505
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -14.447
flat angles C4'-P-C4' energy: -13.240
flat angles P-C4'-P energy: -6.945
tors. eta vs tors. theta energy: -17.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -212.936392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.936392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.936392 (E_RNA)
where:
Base-Base interactions energy: -143.120
where: short stacking energy: -64.942
Base-Backbone interact. energy: -0.000
local terms energy: -69.816712
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -10.233
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -8.254
tors. eta vs tors. theta energy: -20.123
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: 8
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -197.149456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.149456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.149456 (E_RNA)
where:
Base-Base interactions energy: -122.694
where: short stacking energy: -61.576
Base-Backbone interact. energy: -0.081
local terms energy: -74.374635
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -12.874
tors. eta vs tors. theta energy: -16.971
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: 249
Temperature: 1.200000
Total energy: -178.160666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.160666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.160666 (E_RNA)
where:
Base-Base interactions energy: -116.649
where: short stacking energy: -47.893
Base-Backbone interact. energy: 0.365
local terms energy: -61.877236
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -9.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -90.993181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.993181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.993181 (E_RNA)
where:
Base-Base interactions energy: -35.911
where: short stacking energy: -31.765
Base-Backbone interact. energy: 0.716
local terms energy: -55.798454
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -8.720
tors. eta vs tors. theta energy: -3.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -81.681000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.681000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.681000 (E_RNA)
where:
Base-Base interactions energy: -34.447
where: short stacking energy: -30.633
Base-Backbone interact. energy: -0.108
local terms energy: -47.126193
where:
bonds (distance) C4'-P energy: -8.366
bonds (distance) P-C4' energy: -15.229
flat angles C4'-P-C4' energy: -12.093
flat angles P-C4'-P energy: -6.431
tors. eta vs tors. theta energy: -5.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -86.164034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.164034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.164034 (E_RNA)
where:
Base-Base interactions energy: -40.255
where: short stacking energy: -21.200
Base-Backbone interact. energy: 0.491
local terms energy: -46.400107
where:
bonds (distance) C4'-P energy: -14.837
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -9.605
flat angles P-C4'-P energy: -6.309
tors. eta vs tors. theta energy: -2.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -225.745188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.745188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.745188 (E_RNA)
where:
Base-Base interactions energy: -150.917
where: short stacking energy: -74.572
Base-Backbone interact. energy: -0.126
local terms energy: -74.701506
where:
bonds (distance) C4'-P energy: -15.976
bonds (distance) P-C4' energy: -17.318
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -5.413
tors. eta vs tors. theta energy: -20.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -227.416544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.416544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.416544 (E_RNA)
where:
Base-Base interactions energy: -144.859
where: short stacking energy: -78.674
Base-Backbone interact. energy: -1.313
local terms energy: -81.244177
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -17.680
flat angles P-C4'-P energy: -13.494
tors. eta vs tors. theta energy: -23.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -226.262030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.262030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.262030 (E_RNA)
where:
Base-Base interactions energy: -147.783
where: short stacking energy: -67.273
Base-Backbone interact. energy: -0.268
local terms energy: -78.211290
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -13.452
tors. eta vs tors. theta energy: -16.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -220.523205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.523205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.523205 (E_RNA)
where:
Base-Base interactions energy: -145.961
where: short stacking energy: -66.581
Base-Backbone interact. energy: -0.001
local terms energy: -74.561224
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -20.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -216.768199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.768199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.768199 (E_RNA)
where:
Base-Base interactions energy: -144.796
where: short stacking energy: -73.161
Base-Backbone interact. energy: -0.001
local terms energy: -71.970826
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -19.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -193.313006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.313006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.313006 (E_RNA)
where:
Base-Base interactions energy: -129.191
where: short stacking energy: -54.011
Base-Backbone interact. energy: -0.167
local terms energy: -63.955612
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -10.650
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -13.453
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: 250
Temperature: 1.200000
Total energy: -169.515486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.515486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.515486 (E_RNA)
where:
Base-Base interactions energy: -102.152
where: short stacking energy: -49.580
Base-Backbone interact. energy: -0.207
local terms energy: -67.157108
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -14.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -90.866015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.866015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.866015 (E_RNA)
where:
Base-Base interactions energy: -40.268
where: short stacking energy: -33.456
Base-Backbone interact. energy: -0.829
local terms energy: -49.768390
where:
bonds (distance) C4'-P energy: -10.542
bonds (distance) P-C4' energy: -12.932
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -2.067
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: 5
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -94.952091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.952091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.952091 (E_RNA)
where:
Base-Base interactions energy: -48.804
where: short stacking energy: -18.124
Base-Backbone interact. energy: -0.649
local terms energy: -45.498591
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -12.185
flat angles C4'-P-C4' energy: -12.713
flat angles P-C4'-P energy: -7.472
tors. eta vs tors. theta energy: 1.944
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: 10, replica: 4
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -78.576750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.576750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.576750 (E_RNA)
where:
Base-Base interactions energy: -33.436
where: short stacking energy: -31.538
Base-Backbone interact. energy: -0.324
local terms energy: -44.816706
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -8.081
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: 1.826
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: 3
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -229.502694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.502694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.502694 (E_RNA)
where:
Base-Base interactions energy: -151.750
where: short stacking energy: -73.614
Base-Backbone interact. energy: -1.233
local terms energy: -76.519480
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -17.335
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: -21.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -225.584131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.584131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.584131 (E_RNA)
where:
Base-Base interactions energy: -152.454
where: short stacking energy: -68.919
Base-Backbone interact. energy: -0.183
local terms energy: -72.947105
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -11.817
tors. eta vs tors. theta energy: -14.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -226.462426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.462426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.462426 (E_RNA)
where:
Base-Base interactions energy: -145.358
where: short stacking energy: -74.639
Base-Backbone interact. energy: -0.014
local terms energy: -81.090723
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -11.383
tors. eta vs tors. theta energy: -23.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -223.466392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.466392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.466392 (E_RNA)
where:
Base-Base interactions energy: -154.495
where: short stacking energy: -74.581
Base-Backbone interact. energy: -0.250
local terms energy: -68.721879
where:
bonds (distance) C4'-P energy: -9.311
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -7.140
tors. eta vs tors. theta energy: -22.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -213.466265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.466265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.466265 (E_RNA)
where:
Base-Base interactions energy: -139.402
where: short stacking energy: -64.240
Base-Backbone interact. energy: -0.460
local terms energy: -73.604586
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -20.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -178.516453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.516453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.516453 (E_RNA)
where:
Base-Base interactions energy: -111.052
where: short stacking energy: -64.384
Base-Backbone interact. energy: -0.016
local terms energy: -67.448669
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -11.873
flat angles C4'-P-C4' energy: -11.561
flat angles P-C4'-P energy: -12.825
tors. eta vs tors. theta energy: -17.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -189.555663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.555663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.555663 (E_RNA)
where:
Base-Base interactions energy: -127.391
where: short stacking energy: -57.057
Base-Backbone interact. energy: 0.462
local terms energy: -62.627018
where:
bonds (distance) C4'-P energy: -5.518
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -18.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -91.450350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.450350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.450350 (E_RNA)
where:
Base-Base interactions energy: -38.126
where: short stacking energy: -23.356
Base-Backbone interact. energy: -1.558
local terms energy: -51.765819
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -8.742
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -3.795
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: 5
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -81.281363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.281363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.281363 (E_RNA)
where:
Base-Base interactions energy: -40.353
where: short stacking energy: -26.558
Base-Backbone interact. energy: -0.420
local terms energy: -40.509017
where:
bonds (distance) C4'-P energy: -10.108
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -7.495
tors. eta vs tors. theta energy: 3.057
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: 251
Temperature: 1.350000
Total energy: -78.823377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.823377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.823377 (E_RNA)
where:
Base-Base interactions energy: -28.730
where: short stacking energy: -19.280
Base-Backbone interact. energy: -0.195
local terms energy: -49.897903
where:
bonds (distance) C4'-P energy: -10.269
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -8.293
tors. eta vs tors. theta energy: -1.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -230.117993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.117993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.117993 (E_RNA)
where:
Base-Base interactions energy: -152.456
where: short stacking energy: -75.739
Base-Backbone interact. energy: -0.783
local terms energy: -76.879191
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -17.500
flat angles C4'-P-C4' energy: -11.506
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -20.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -233.283677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.283677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.283677 (E_RNA)
where:
Base-Base interactions energy: -154.904
where: short stacking energy: -74.114
Base-Backbone interact. energy: -0.500
local terms energy: -77.880143
where:
bonds (distance) C4'-P energy: -14.200
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -21.369
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: 6
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -227.892068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.892068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.892068 (E_RNA)
where:
Base-Base interactions energy: -151.166
where: short stacking energy: -72.755
Base-Backbone interact. energy: -0.263
local terms energy: -76.463108
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -10.606
tors. eta vs tors. theta energy: -21.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -222.750879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.750879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.750879 (E_RNA)
where:
Base-Base interactions energy: -143.529
where: short stacking energy: -74.875
Base-Backbone interact. energy: -0.138
local terms energy: -79.083601
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -14.756
tors. eta vs tors. theta energy: -23.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -203.135383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.135383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.135383 (E_RNA)
where:
Base-Base interactions energy: -134.795
where: short stacking energy: -59.731
Base-Backbone interact. energy: -0.036
local terms energy: -68.304056
where:
bonds (distance) C4'-P energy: -12.868
bonds (distance) P-C4' energy: -14.027
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -17.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -177.806887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.806887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.806887 (E_RNA)
where:
Base-Base interactions energy: -109.355
where: short stacking energy: -57.461
Base-Backbone interact. energy: -0.011
local terms energy: -68.440708
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -9.681
tors. eta vs tors. theta energy: -14.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -187.045740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.045740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.045740 (E_RNA)
where:
Base-Base interactions energy: -120.535
where: short stacking energy: -51.693
Base-Backbone interact. energy: -0.532
local terms energy: -65.979224
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -11.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -81.484449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.484449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.484449 (E_RNA)
where:
Base-Base interactions energy: -27.425
where: short stacking energy: -27.425
Base-Backbone interact. energy: -0.200
local terms energy: -53.860185
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -10.219
flat angles P-C4'-P energy: -7.862
tors. eta vs tors. theta energy: -3.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -79.743365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.743365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.743365 (E_RNA)
where:
Base-Base interactions energy: -37.873
where: short stacking energy: -26.863
Base-Backbone interact. energy: 1.354
local terms energy: -43.224736
where:
bonds (distance) C4'-P energy: -10.236
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -11.303
flat angles P-C4'-P energy: -6.318
tors. eta vs tors. theta energy: -2.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -81.210075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.210075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.210075 (E_RNA)
where:
Base-Base interactions energy: -35.321
where: short stacking energy: -28.874
Base-Backbone interact. energy: -0.031
local terms energy: -45.857937
where:
bonds (distance) C4'-P energy: -10.421
bonds (distance) P-C4' energy: -9.058
flat angles C4'-P-C4' energy: -13.454
flat angles P-C4'-P energy: -10.919
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: 1, replica: 3
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -227.939775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.939775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.939775 (E_RNA)
where:
Base-Base interactions energy: -151.822
where: short stacking energy: -74.250
Base-Backbone interact. energy: -0.333
local terms energy: -75.785333
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -12.992
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -12.928
tors. eta vs tors. theta energy: -19.069
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: 6
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -226.063741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.063741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.063741 (E_RNA)
where:
Base-Base interactions energy: -147.377
where: short stacking energy: -73.781
Base-Backbone interact. energy: -0.009
local terms energy: -78.677779
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -18.207
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: 3, replica: 10
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -225.922064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.922064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.922064 (E_RNA)
where:
Base-Base interactions energy: -142.956
where: short stacking energy: -66.790
Base-Backbone interact. energy: -0.100
local terms energy: -82.865898
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -13.690
tors. eta vs tors. theta energy: -21.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -217.102457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.102457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.102457 (E_RNA)
where:
Base-Base interactions energy: -141.179
where: short stacking energy: -69.401
Base-Backbone interact. energy: 0.143
local terms energy: -76.066330
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -14.228
flat angles C4'-P-C4' energy: -18.685
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -17.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -214.007736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.007736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.007736 (E_RNA)
where:
Base-Base interactions energy: -141.616
where: short stacking energy: -68.918
Base-Backbone interact. energy: -0.653
local terms energy: -71.738777
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -19.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -158.496828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.496828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.496828 (E_RNA)
where:
Base-Base interactions energy: -99.075
where: short stacking energy: -43.976
Base-Backbone interact. energy: 0.229
local terms energy: -59.650214
where:
bonds (distance) C4'-P energy: -11.504
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -8.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -193.479800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.479800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.479800 (E_RNA)
where:
Base-Base interactions energy: -126.936
where: short stacking energy: -62.751
Base-Backbone interact. energy: -0.676
local terms energy: -65.867024
where:
bonds (distance) C4'-P energy: -9.578
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -16.412
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -15.576
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: 5
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -103.528088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.528088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.528088 (E_RNA)
where:
Base-Base interactions energy: -48.232
where: short stacking energy: -42.526
Base-Backbone interact. energy: -0.485
local terms energy: -54.810481
where:
bonds (distance) C4'-P energy: -11.922
bonds (distance) P-C4' energy: -10.410
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -7.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -87.231500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.231500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.231500 (E_RNA)
where:
Base-Base interactions energy: -34.140
where: short stacking energy: -27.419
Base-Backbone interact. energy: -0.214
local terms energy: -52.876848
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -10.887
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -3.727
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: 4
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -80.432190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.432190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.432190 (E_RNA)
where:
Base-Base interactions energy: -32.705
where: short stacking energy: -22.628
Base-Backbone interact. energy: -0.297
local terms energy: -47.429935
where:
bonds (distance) C4'-P energy: -12.032
bonds (distance) P-C4' energy: -13.559
flat angles C4'-P-C4' energy: -10.633
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: 0.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -230.046061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.046061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.046061 (E_RNA)
where:
Base-Base interactions energy: -144.748
where: short stacking energy: -79.305
Base-Backbone interact. energy: -0.001
local terms energy: -85.297391
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -13.436
tors. eta vs tors. theta energy: -21.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -221.726253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.726253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.726253 (E_RNA)
where:
Base-Base interactions energy: -143.727
where: short stacking energy: -72.038
Base-Backbone interact. energy: -0.335
local terms energy: -77.664389
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -17.994
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -19.425
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: 3, replica: 7
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -217.125726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.125726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.125726 (E_RNA)
where:
Base-Base interactions energy: -146.409
where: short stacking energy: -72.261
Base-Backbone interact. energy: -0.005
local terms energy: -70.712108
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -4.661
tors. eta vs tors. theta energy: -20.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -215.237088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.237088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.237088 (E_RNA)
where:
Base-Base interactions energy: -140.801
where: short stacking energy: -68.359
Base-Backbone interact. energy: 0.574
local terms energy: -75.010675
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -10.400
tors. eta vs tors. theta energy: -21.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -212.271026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.271026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.271026 (E_RNA)
where:
Base-Base interactions energy: -137.308
where: short stacking energy: -72.782
Base-Backbone interact. energy: -0.005
local terms energy: -74.957805
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -15.269
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -21.591
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: 1
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -169.572339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.572339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.572339 (E_RNA)
where:
Base-Base interactions energy: -98.117
where: short stacking energy: -54.018
Base-Backbone interact. energy: -0.436
local terms energy: -71.019589
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -10.490
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: 7, replica: 8
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -214.462037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.462037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.462037 (E_RNA)
where:
Base-Base interactions energy: -139.794
where: short stacking energy: -67.111
Base-Backbone interact. energy: -0.001
local terms energy: -74.667027
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -16.015
flat angles P-C4'-P energy: -9.040
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: 8, replica: 5
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -144.955474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.955474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.955474 (E_RNA)
where:
Base-Base interactions energy: -90.459
where: short stacking energy: -45.813
Base-Backbone interact. energy: -0.105
local terms energy: -54.391862
where:
bonds (distance) C4'-P energy: -9.688
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -6.202
tors. eta vs tors. theta energy: -10.022
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: 9, replica: 4
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -86.239866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.239866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.239866 (E_RNA)
where:
Base-Base interactions energy: -31.862
where: short stacking energy: -31.862
Base-Backbone interact. energy: -0.001
local terms energy: -54.376774
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -17.534
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -1.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -90.682717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.682717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.682717 (E_RNA)
where:
Base-Base interactions energy: -37.054
where: short stacking energy: -31.925
Base-Backbone interact. energy: -0.458
local terms energy: -53.170501
where:
bonds (distance) C4'-P energy: -8.191
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -11.084
flat angles P-C4'-P energy: -9.239
tors. eta vs tors. theta energy: -6.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -231.555023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.555023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.555023 (E_RNA)
where:
Base-Base interactions energy: -149.749
where: short stacking energy: -74.534
Base-Backbone interact. energy: -0.757
local terms energy: -81.049721
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -20.810
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: 6
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -228.663116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.663116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.663116 (E_RNA)
where:
Base-Base interactions energy: -151.204
where: short stacking energy: -69.608
Base-Backbone interact. energy: -0.089
local terms energy: -77.369909
where:
bonds (distance) C4'-P energy: -10.376
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -13.819
tors. eta vs tors. theta energy: -21.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -212.183250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.183250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.183250 (E_RNA)
where:
Base-Base interactions energy: -139.307
where: short stacking energy: -65.875
Base-Backbone interact. energy: -0.032
local terms energy: -72.844052
where:
bonds (distance) C4'-P energy: -14.903
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -8.036
tors. eta vs tors. theta energy: -18.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -213.891498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.891498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.891498 (E_RNA)
where:
Base-Base interactions energy: -141.774
where: short stacking energy: -71.684
Base-Backbone interact. energy: -0.034
local terms energy: -72.083667
where:
bonds (distance) C4'-P energy: -9.706
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -17.266
flat angles P-C4'-P energy: -11.628
tors. eta vs tors. theta energy: -18.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -204.270737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.270737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.270737 (E_RNA)
where:
Base-Base interactions energy: -133.829
where: short stacking energy: -62.536
Base-Backbone interact. energy: -0.111
local terms energy: -70.330794
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -18.600
flat angles P-C4'-P energy: -9.932
tors. eta vs tors. theta energy: -13.882
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: 8
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -210.168480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.168480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.168480 (E_RNA)
where:
Base-Base interactions energy: -139.636
where: short stacking energy: -70.397
Base-Backbone interact. energy: -0.035
local terms energy: -70.497238
where:
bonds (distance) C4'-P energy: -12.105
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -18.010
flat angles P-C4'-P energy: -7.133
tors. eta vs tors. theta energy: -22.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -150.200321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.200321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.200321 (E_RNA)
where:
Base-Base interactions energy: -92.613
where: short stacking energy: -37.462
Base-Backbone interact. energy: -0.735
local terms energy: -56.852415
where:
bonds (distance) C4'-P energy: -9.089
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -10.050
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -12.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -126.634447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.634447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.634447 (E_RNA)
where:
Base-Base interactions energy: -74.491
where: short stacking energy: -35.964
Base-Backbone interact. energy: -1.222
local terms energy: -50.921833
where:
bonds (distance) C4'-P energy: -9.703
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -13.072
flat angles P-C4'-P energy: -7.238
tors. eta vs tors. theta energy: -5.079
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: 9, replica: 4
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -86.228847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.228847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.228847 (E_RNA)
where:
Base-Base interactions energy: -34.868
where: short stacking energy: -34.868
Base-Backbone interact. energy: -0.002
local terms energy: -51.358642
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -3.610
tors. eta vs tors. theta energy: -7.158
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: 10, replica: 9
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -76.587604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.587604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.587604 (E_RNA)
where:
Base-Base interactions energy: -23.481
where: short stacking energy: -22.478
Base-Backbone interact. energy: -0.062
local terms energy: -53.043889
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -12.826
flat angles C4'-P-C4' energy: -11.955
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -3.756
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: 6
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -233.170718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.170718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.170718 (E_RNA)
where:
Base-Base interactions energy: -155.176
where: short stacking energy: -75.714
Base-Backbone interact. energy: -0.238
local terms energy: -77.756255
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -17.821
flat angles P-C4'-P energy: -8.492
tors. eta vs tors. theta energy: -21.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -216.674210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.674210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.674210 (E_RNA)
where:
Base-Base interactions energy: -142.503
where: short stacking energy: -67.770
Base-Backbone interact. energy: -0.194
local terms energy: -73.976459
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -17.268
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -17.371
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: 2
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -223.863319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.863319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.863319 (E_RNA)
where:
Base-Base interactions energy: -144.210
where: short stacking energy: -75.898
Base-Backbone interact. energy: -0.003
local terms energy: -79.650124
where:
bonds (distance) C4'-P energy: -16.852
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -21.858
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: 7
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -208.825058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.825058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.825058 (E_RNA)
where:
Base-Base interactions energy: -135.838
where: short stacking energy: -72.832
Base-Backbone interact. energy: -0.655
local terms energy: -72.331575
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -10.070
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -22.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -209.387709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.387709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.387709 (E_RNA)
where:
Base-Base interactions energy: -137.298
where: short stacking energy: -72.924
Base-Backbone interact. energy: -0.066
local terms energy: -72.023669
where:
bonds (distance) C4'-P energy: -12.296
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -23.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -200.321379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.321379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.321379 (E_RNA)
where:
Base-Base interactions energy: -130.835
where: short stacking energy: -60.675
Base-Backbone interact. energy: -0.419
local terms energy: -69.067209
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -12.785
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: 1
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -154.725946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.725946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.725946 (E_RNA)
where:
Base-Base interactions energy: -104.029
where: short stacking energy: -47.813
Base-Backbone interact. energy: -0.187
local terms energy: -50.509661
where:
bonds (distance) C4'-P energy: -6.062
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -12.335
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -4.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -136.727632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.727632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.727632 (E_RNA)
where:
Base-Base interactions energy: -84.018
where: short stacking energy: -43.463
Base-Backbone interact. energy: 1.086
local terms energy: -53.795297
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -11.126
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -4.597
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: 4
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -85.707291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.707291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.707291 (E_RNA)
where:
Base-Base interactions energy: -34.075
where: short stacking energy: -34.075
Base-Backbone interact. energy: -0.048
local terms energy: -51.584339
where:
bonds (distance) C4'-P energy: -11.438
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -8.080
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -6.703
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: 9
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -89.496573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.496573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.496573 (E_RNA)
where:
Base-Base interactions energy: -46.735
where: short stacking energy: -22.956
Base-Backbone interact. energy: -0.890
local terms energy: -41.870841
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -10.533
flat angles C4'-P-C4' energy: -10.787
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: 1.717
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: 6
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -229.390539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.390539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.390539 (E_RNA)
where:
Base-Base interactions energy: -152.543
where: short stacking energy: -75.830
Base-Backbone interact. energy: -0.028
local terms energy: -76.819041
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -13.928
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -12.346
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: 2, replica: 2
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -228.656654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.656654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.656654 (E_RNA)
where:
Base-Base interactions energy: -147.824
where: short stacking energy: -71.647
Base-Backbone interact. energy: -0.456
local terms energy: -80.376998
where:
bonds (distance) C4'-P energy: -14.526
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -17.809
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -22.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -218.660767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.660767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.660767 (E_RNA)
where:
Base-Base interactions energy: -145.288
where: short stacking energy: -71.545
Base-Backbone interact. energy: -0.009
local terms energy: -73.363855
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -10.736
flat angles P-C4'-P energy: -11.967
tors. eta vs tors. theta energy: -17.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -221.999535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.999535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.999535 (E_RNA)
where:
Base-Base interactions energy: -142.091
where: short stacking energy: -71.494
Base-Backbone interact. energy: -0.062
local terms energy: -79.846111
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -17.702
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -13.188
tors. eta vs tors. theta energy: -17.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -217.800154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.800154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.800154 (E_RNA)
where:
Base-Base interactions energy: -145.416
where: short stacking energy: -70.364
Base-Backbone interact. energy: -0.921
local terms energy: -71.463322
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -20.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -208.665158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.665158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.665158 (E_RNA)
where:
Base-Base interactions energy: -136.550
where: short stacking energy: -66.972
Base-Backbone interact. energy: -0.075
local terms energy: -72.039316
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -17.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -171.443930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.443930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.443930 (E_RNA)
where:
Base-Base interactions energy: -109.505
where: short stacking energy: -48.297
Base-Backbone interact. energy: -0.903
local terms energy: -61.035842
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -18.486
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -4.074
tors. eta vs tors. theta energy: -9.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -91.492551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.492551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.492551 (E_RNA)
where:
Base-Base interactions energy: -35.412
where: short stacking energy: -33.842
Base-Backbone interact. energy: -0.425
local terms energy: -55.656280
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -10.810
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -3.696
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: 5
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -99.200931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.200931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.200931 (E_RNA)
where:
Base-Base interactions energy: -52.977
where: short stacking energy: -34.385
Base-Backbone interact. energy: 1.803
local terms energy: -48.027666
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -11.653
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -3.135
tors. eta vs tors. theta energy: -4.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -78.397752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.397752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.397752 (E_RNA)
where:
Base-Base interactions energy: -31.476
where: short stacking energy: -27.087
Base-Backbone interact. energy: -0.097
local terms energy: -46.824663
where:
bonds (distance) C4'-P energy: -10.953
bonds (distance) P-C4' energy: -8.381
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -8.118
tors. eta vs tors. theta energy: -4.971
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: 1, replica: 6
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -234.518580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.518580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.518580 (E_RNA)
where:
Base-Base interactions energy: -152.544
where: short stacking energy: -75.855
Base-Backbone interact. energy: -0.067
local terms energy: -81.907693
where:
bonds (distance) C4'-P energy: -11.444
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -14.124
tors. eta vs tors. theta energy: -23.345
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: 2
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -222.729638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.729638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.729638 (E_RNA)
where:
Base-Base interactions energy: -151.369
where: short stacking energy: -70.621
Base-Backbone interact. energy: -0.070
local terms energy: -71.290435
where:
bonds (distance) C4'-P energy: -9.498
bonds (distance) P-C4' energy: -15.279
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -20.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -225.893555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.893555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.893555 (E_RNA)
where:
Base-Base interactions energy: -145.904
where: short stacking energy: -68.890
Base-Backbone interact. energy: -0.120
local terms energy: -79.868900
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -13.280
tors. eta vs tors. theta energy: -20.010
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: 4, replica: 7
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -212.810662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.810662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.810662 (E_RNA)
where:
Base-Base interactions energy: -143.873
where: short stacking energy: -66.308
Base-Backbone interact. energy: 1.086
local terms energy: -70.023467
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -14.557
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -19.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -213.072524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.072524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.072524 (E_RNA)
where:
Base-Base interactions energy: -136.161
where: short stacking energy: -64.932
Base-Backbone interact. energy: -0.475
local terms energy: -76.436299
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -17.284
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -17.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -192.350547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.350547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.350547 (E_RNA)
where:
Base-Base interactions energy: -123.979
where: short stacking energy: -63.116
Base-Backbone interact. energy: -0.030
local terms energy: -68.341638
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -7.154
tors. eta vs tors. theta energy: -18.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -162.319464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.319464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.319464 (E_RNA)
where:
Base-Base interactions energy: -103.332
where: short stacking energy: -45.785
Base-Backbone interact. energy: -0.001
local terms energy: -58.986582
where:
bonds (distance) C4'-P energy: -11.187
bonds (distance) P-C4' energy: -13.242
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -13.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -80.892520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.892520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.892520 (E_RNA)
where:
Base-Base interactions energy: -31.579
where: short stacking energy: -31.579
Base-Backbone interact. energy: -0.120
local terms energy: -49.193449
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -13.801
flat angles C4'-P-C4' energy: -13.665
flat angles P-C4'-P energy: -6.649
tors. eta vs tors. theta energy: -3.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -80.459551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.459551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.459551 (E_RNA)
where:
Base-Base interactions energy: -28.195
where: short stacking energy: -28.195
Base-Backbone interact. energy: -0.388
local terms energy: -51.876231
where:
bonds (distance) C4'-P energy: -10.137
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -11.133
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: -6.187
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: 9
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -75.249297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.249297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.249297 (E_RNA)
where:
Base-Base interactions energy: -27.242
where: short stacking energy: -27.242
Base-Backbone interact. energy: -0.067
local terms energy: -47.940101
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -10.659
flat angles P-C4'-P energy: -2.497
tors. eta vs tors. theta energy: -8.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -223.501395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.501395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.501395 (E_RNA)
where:
Base-Base interactions energy: -146.336
where: short stacking energy: -71.303
Base-Backbone interact. energy: -0.016
local terms energy: -77.149166
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -19.532
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: 3
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -228.751653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.751653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.751653 (E_RNA)
where:
Base-Base interactions energy: -152.385
where: short stacking energy: -69.047
Base-Backbone interact. energy: -1.379
local terms energy: -74.988362
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -16.824
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -18.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -221.917285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.917285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.917285 (E_RNA)
where:
Base-Base interactions energy: -148.057
where: short stacking energy: -73.288
Base-Backbone interact. energy: -0.070
local terms energy: -73.789549
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -10.359
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -11.788
tors. eta vs tors. theta energy: -22.158
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: 4, replica: 7
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -220.393664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.393664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.393664 (E_RNA)
where:
Base-Base interactions energy: -150.364
where: short stacking energy: -75.157
Base-Backbone interact. energy: 0.380
local terms energy: -70.409908
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -12.459
flat angles P-C4'-P energy: -8.465
tors. eta vs tors. theta energy: -21.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -208.849449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.849449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.849449 (E_RNA)
where:
Base-Base interactions energy: -139.053
where: short stacking energy: -68.265
Base-Backbone interact. energy: -0.365
local terms energy: -69.431839
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -17.040
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -15.987
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: 10
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -205.680435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.680435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.680435 (E_RNA)
where:
Base-Base interactions energy: -135.852
where: short stacking energy: -62.554
Base-Backbone interact. energy: -0.105
local terms energy: -69.724137
where:
bonds (distance) C4'-P energy: -11.738
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -18.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -148.575795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.575795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.575795 (E_RNA)
where:
Base-Base interactions energy: -90.525
where: short stacking energy: -36.114
Base-Backbone interact. energy: -0.876
local terms energy: -57.174236
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -12.118
flat angles P-C4'-P energy: -10.965
tors. eta vs tors. theta energy: -5.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -91.024951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.024951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.024951 (E_RNA)
where:
Base-Base interactions energy: -38.154
where: short stacking energy: -33.155
Base-Backbone interact. energy: -0.092
local terms energy: -52.778413
where:
bonds (distance) C4'-P energy: -11.732
bonds (distance) P-C4' energy: -14.077
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -10.912
tors. eta vs tors. theta energy: -2.868
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: 259
Temperature: 1.300000
Total energy: -72.672340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.672340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.672340 (E_RNA)
where:
Base-Base interactions energy: -28.723
where: short stacking energy: -28.723
Base-Backbone interact. energy: -0.034
local terms energy: -43.915427
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -11.889
flat angles C4'-P-C4' energy: -9.702
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: 0.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -80.570754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.570754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.570754 (E_RNA)
where:
Base-Base interactions energy: -34.552
where: short stacking energy: -34.552
Base-Backbone interact. energy: -0.017
local terms energy: -46.002084
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -11.916
flat angles P-C4'-P energy: -2.469
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: 3
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -234.077470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.077470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.077470 (E_RNA)
where:
Base-Base interactions energy: -154.839
where: short stacking energy: -77.864
Base-Backbone interact. energy: -0.000
local terms energy: -79.237894
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -11.225
flat angles C4'-P-C4' energy: -17.337
flat angles P-C4'-P energy: -12.374
tors. eta vs tors. theta energy: -20.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -224.237177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.237177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.237177 (E_RNA)
where:
Base-Base interactions energy: -151.941
where: short stacking energy: -69.979
Base-Backbone interact. energy: -0.743
local terms energy: -71.553843
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -17.619
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -18.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -227.723110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.723110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.723110 (E_RNA)
where:
Base-Base interactions energy: -150.327
where: short stacking energy: -75.949
Base-Backbone interact. energy: -0.239
local terms energy: -77.157106
where:
bonds (distance) C4'-P energy: -10.129
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -11.620
tors. eta vs tors. theta energy: -21.782
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: 7
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -222.169103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.169103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.169103 (E_RNA)
where:
Base-Base interactions energy: -145.092
where: short stacking energy: -73.914
Base-Backbone interact. energy: -0.620
local terms energy: -76.456829
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -19.274
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: 10
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -208.373071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.373071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.373071 (E_RNA)
where:
Base-Base interactions energy: -135.567
where: short stacking energy: -68.791
Base-Backbone interact. energy: -0.046
local terms energy: -72.760419
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -12.876
flat angles C4'-P-C4' energy: -17.001
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -20.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -202.055762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.055762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.055762 (E_RNA)
where:
Base-Base interactions energy: -136.118
where: short stacking energy: -63.058
Base-Backbone interact. energy: -0.110
local terms energy: -65.827907
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -13.928
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -6.953
tors. eta vs tors. theta energy: -16.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -152.332822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.332822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.332822 (E_RNA)
where:
Base-Base interactions energy: -99.703
where: short stacking energy: -45.932
Base-Backbone interact. energy: -0.169
local terms energy: -52.461001
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -5.148
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -6.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -86.928889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.928889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.928889 (E_RNA)
where:
Base-Base interactions energy: -38.203
where: short stacking energy: -29.057
Base-Backbone interact. energy: -0.128
local terms energy: -48.597553
where:
bonds (distance) C4'-P energy: -8.651
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -6.578
tors. eta vs tors. theta energy: -4.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -82.135361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.135361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.135361 (E_RNA)
where:
Base-Base interactions energy: -31.088
where: short stacking energy: -20.934
Base-Backbone interact. energy: 0.348
local terms energy: -51.395678
where:
bonds (distance) C4'-P energy: -10.384
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: 0.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -78.303854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.303854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.303854 (E_RNA)
where:
Base-Base interactions energy: -28.006
where: short stacking energy: -24.681
Base-Backbone interact. energy: -0.177
local terms energy: -50.120871
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -14.450
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -7.591
tors. eta vs tors. theta energy: 0.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -234.848193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.848193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.848193 (E_RNA)
where:
Base-Base interactions energy: -153.466
where: short stacking energy: -77.541
Base-Backbone interact. energy: -0.000
local terms energy: -81.381758
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -17.224
flat angles P-C4'-P energy: -14.518
tors. eta vs tors. theta energy: -19.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -216.758463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.758463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.758463 (E_RNA)
where:
Base-Base interactions energy: -141.326
where: short stacking energy: -63.272
Base-Backbone interact. energy: -0.393
local terms energy: -75.039360
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -15.916
flat angles C4'-P-C4' energy: -17.420
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -18.835
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: 2
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -221.949433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.949433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.949433 (E_RNA)
where:
Base-Base interactions energy: -143.604
where: short stacking energy: -67.744
Base-Backbone interact. energy: -0.012
local terms energy: -78.332791
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -22.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -210.912631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.912631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.912631 (E_RNA)
where:
Base-Base interactions energy: -143.151
where: short stacking energy: -71.947
Base-Backbone interact. energy: -0.002
local terms energy: -67.759198
where:
bonds (distance) C4'-P energy: -11.421
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: -19.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -205.660913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.660913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.660913 (E_RNA)
where:
Base-Base interactions energy: -130.466
where: short stacking energy: -53.518
Base-Backbone interact. energy: -0.124
local terms energy: -75.070579
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -14.411
tors. eta vs tors. theta energy: -15.200
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: 1
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -153.021777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.021777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.021777 (E_RNA)
where:
Base-Base interactions energy: -96.789
where: short stacking energy: -44.996
Base-Backbone interact. energy: -0.033
local terms energy: -56.199162
where:
bonds (distance) C4'-P energy: -10.260
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -8.766
flat angles P-C4'-P energy: -12.593
tors. eta vs tors. theta energy: -8.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -180.171224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.171224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.171224 (E_RNA)
where:
Base-Base interactions energy: -124.404
where: short stacking energy: -64.678
Base-Backbone interact. energy: -0.674
local terms energy: -55.093007
where:
bonds (distance) C4'-P energy: -5.496
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -11.258
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -13.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -101.426561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.426561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.426561 (E_RNA)
where:
Base-Base interactions energy: -49.410
where: short stacking energy: -42.426
Base-Backbone interact. energy: -0.925
local terms energy: -51.091372
where:
bonds (distance) C4'-P energy: -9.723
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -5.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -75.701374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.701374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.701374 (E_RNA)
where:
Base-Base interactions energy: -44.920
where: short stacking energy: -18.372
Base-Backbone interact. energy: 1.248
local terms energy: -32.029309
where:
bonds (distance) C4'-P energy: -8.102
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -12.229
flat angles P-C4'-P energy: -2.053
tors. eta vs tors. theta energy: 4.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -70.166578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.166578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.166578 (E_RNA)
where:
Base-Base interactions energy: -24.159
where: short stacking energy: -12.192
Base-Backbone interact. energy: -0.595
local terms energy: -45.413146
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -9.132
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: 1.784
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: 6
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -228.181160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.181160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.181160 (E_RNA)
where:
Base-Base interactions energy: -153.648
where: short stacking energy: -74.554
Base-Backbone interact. energy: -0.175
local terms energy: -74.358889
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -20.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -233.148872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.148872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.148872 (E_RNA)
where:
Base-Base interactions energy: -154.711
where: short stacking energy: -73.690
Base-Backbone interact. energy: -0.017
local terms energy: -78.420612
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: -20.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -219.898395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.898395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.898395 (E_RNA)
where:
Base-Base interactions energy: -144.661
where: short stacking energy: -70.563
Base-Backbone interact. energy: -0.029
local terms energy: -75.208332
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -13.362
flat angles C4'-P-C4' energy: -18.460
flat angles P-C4'-P energy: -11.499
tors. eta vs tors. theta energy: -19.491
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: 4, replica: 2
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -218.803513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.803513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.803513 (E_RNA)
where:
Base-Base interactions energy: -146.590
where: short stacking energy: -71.077
Base-Backbone interact. energy: -0.002
local terms energy: -72.211547
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -9.323
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -13.278
tors. eta vs tors. theta energy: -21.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -194.164202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.164202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.164202 (E_RNA)
where:
Base-Base interactions energy: -125.390
where: short stacking energy: -57.959
Base-Backbone interact. energy: -0.009
local terms energy: -68.765351
where:
bonds (distance) C4'-P energy: -11.176
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -16.323
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: 6, replica: 1
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -153.214154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.214154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.214154 (E_RNA)
where:
Base-Base interactions energy: -91.240
where: short stacking energy: -46.011
Base-Backbone interact. energy: -0.704
local terms energy: -61.270695
where:
bonds (distance) C4'-P energy: -11.724
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -11.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -179.153806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.153806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.153806 (E_RNA)
where:
Base-Base interactions energy: -114.677
where: short stacking energy: -54.620
Base-Backbone interact. energy: -0.042
local terms energy: -64.435277
where:
bonds (distance) C4'-P energy: -10.216
bonds (distance) P-C4' energy: -13.316
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -12.695
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: 8, replica: 9
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -90.750809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.750809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.750809 (E_RNA)
where:
Base-Base interactions energy: -44.386
where: short stacking energy: -40.408
Base-Backbone interact. energy: -0.127
local terms energy: -46.237197
where:
bonds (distance) C4'-P energy: -10.423
bonds (distance) P-C4' energy: -9.389
flat angles C4'-P-C4' energy: -9.473
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -7.587
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: 4
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -81.510941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.510941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.510941 (E_RNA)
where:
Base-Base interactions energy: -35.332
where: short stacking energy: -35.332
Base-Backbone interact. energy: -0.362
local terms energy: -45.816899
where:
bonds (distance) C4'-P energy: -9.285
bonds (distance) P-C4' energy: -11.479
flat angles C4'-P-C4' energy: -13.368
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -1.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -83.934494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.934494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.934494 (E_RNA)
where:
Base-Base interactions energy: -33.090
where: short stacking energy: -30.192
Base-Backbone interact. energy: -0.732
local terms energy: -50.111728
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -11.069
flat angles C4'-P-C4' energy: -6.952
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -5.969
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: 6
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -234.066991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.066991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.066991 (E_RNA)
where:
Base-Base interactions energy: -150.335
where: short stacking energy: -77.045
Base-Backbone interact. energy: -0.002
local terms energy: -83.730090
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -11.413
tors. eta vs tors. theta energy: -22.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -222.709088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.709088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.709088 (E_RNA)
where:
Base-Base interactions energy: -142.859
where: short stacking energy: -63.777
Base-Backbone interact. energy: -0.620
local terms energy: -79.230003
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -14.603
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: 3, replica: 3
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -220.268794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.268794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.268794 (E_RNA)
where:
Base-Base interactions energy: -142.112
where: short stacking energy: -64.611
Base-Backbone interact. energy: -0.063
local terms energy: -78.093063
where:
bonds (distance) C4'-P energy: -16.400
bonds (distance) P-C4' energy: -12.931
flat angles C4'-P-C4' energy: -16.389
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -22.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -217.315156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.315156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.315156 (E_RNA)
where:
Base-Base interactions energy: -145.070
where: short stacking energy: -76.662
Base-Backbone interact. energy: -0.003
local terms energy: -72.242509
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -12.588
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -22.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -202.996317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.996317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.996317 (E_RNA)
where:
Base-Base interactions energy: -138.084
where: short stacking energy: -67.627
Base-Backbone interact. energy: -0.001
local terms energy: -64.912128
where:
bonds (distance) C4'-P energy: -10.092
bonds (distance) P-C4' energy: -12.991
flat angles C4'-P-C4' energy: -11.632
flat angles P-C4'-P energy: -9.526
tors. eta vs tors. theta energy: -20.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -202.725420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.725420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.725420 (E_RNA)
where:
Base-Base interactions energy: -131.158
where: short stacking energy: -60.687
Base-Backbone interact. energy: -0.131
local terms energy: -71.436189
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -13.757
flat angles C4'-P-C4' energy: -17.365
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: -15.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -165.520272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.520272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.520272 (E_RNA)
where:
Base-Base interactions energy: -106.528
where: short stacking energy: -42.537
Base-Backbone interact. energy: 1.095
local terms energy: -60.086634
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -12.026
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -8.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -92.525635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.525635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.525635 (E_RNA)
where:
Base-Base interactions energy: -40.585
where: short stacking energy: -39.223
Base-Backbone interact. energy: -0.176
local terms energy: -51.764417
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -10.141
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -3.702
tors. eta vs tors. theta energy: -8.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -82.973083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.973083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.973083 (E_RNA)
where:
Base-Base interactions energy: -32.724
where: short stacking energy: -32.724
Base-Backbone interact. energy: -0.178
local terms energy: -50.070930
where:
bonds (distance) C4'-P energy: -11.552
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -11.641
flat angles P-C4'-P energy: -4.917
tors. eta vs tors. theta energy: -5.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -84.278481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.278481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.278481 (E_RNA)
where:
Base-Base interactions energy: -38.125
where: short stacking energy: -30.245
Base-Backbone interact. energy: -0.059
local terms energy: -46.094888
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -9.072
flat angles C4'-P-C4' energy: -12.570
flat angles P-C4'-P energy: -5.843
tors. eta vs tors. theta energy: -7.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -234.627705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.627705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.627705 (E_RNA)
where:
Base-Base interactions energy: -153.603
where: short stacking energy: -82.082
Base-Backbone interact. energy: -0.159
local terms energy: -80.865658
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -13.830
flat angles C4'-P-C4' energy: -19.780
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -20.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -228.833271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.833271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.833271 (E_RNA)
where:
Base-Base interactions energy: -148.034
where: short stacking energy: -71.047
Base-Backbone interact. energy: -0.002
local terms energy: -80.797188
where:
bonds (distance) C4'-P energy: -17.970
bonds (distance) P-C4' energy: -14.348
flat angles C4'-P-C4' energy: -15.864
flat angles P-C4'-P energy: -12.478
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: 3, replica: 2
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -225.764354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.764354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.764354 (E_RNA)
where:
Base-Base interactions energy: -144.061
where: short stacking energy: -66.788
Base-Backbone interact. energy: -0.023
local terms energy: -81.680079
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -12.955
tors. eta vs tors. theta energy: -24.219
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: 3
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -215.689773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.689773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.689773 (E_RNA)
where:
Base-Base interactions energy: -140.432
where: short stacking energy: -65.613
Base-Backbone interact. energy: -0.455
local terms energy: -74.803126
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -19.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -201.703837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.703837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.703837 (E_RNA)
where:
Base-Base interactions energy: -123.292
where: short stacking energy: -55.920
Base-Backbone interact. energy: 0.210
local terms energy: -78.622016
where:
bonds (distance) C4'-P energy: -16.964
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -19.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -192.145942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.145942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.145942 (E_RNA)
where:
Base-Base interactions energy: -128.519
where: short stacking energy: -54.988
Base-Backbone interact. energy: -0.060
local terms energy: -63.567128
where:
bonds (distance) C4'-P energy: -11.811
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -15.131
flat angles P-C4'-P energy: -12.268
tors. eta vs tors. theta energy: -11.390
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: 4
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -96.796353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.796353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.796353 (E_RNA)
where:
Base-Base interactions energy: -48.751
where: short stacking energy: -25.937
Base-Backbone interact. energy: -0.114
local terms energy: -47.931369
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -6.979
flat angles C4'-P-C4' energy: -13.550
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -0.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -162.249048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.249048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.249048 (E_RNA)
where:
Base-Base interactions energy: -105.445
where: short stacking energy: -47.354
Base-Backbone interact. energy: 0.644
local terms energy: -57.448510
where:
bonds (distance) C4'-P energy: -9.763
bonds (distance) P-C4' energy: -16.316
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -3.241
tors. eta vs tors. theta energy: -14.844
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: 9, replica: 5
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -73.965853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.965853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.965853 (E_RNA)
where:
Base-Base interactions energy: -25.684
where: short stacking energy: -20.164
Base-Backbone interact. energy: -0.831
local terms energy: -47.450873
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -11.080
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -7.534
tors. eta vs tors. theta energy: -2.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -110.810671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.810671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.810671 (E_RNA)
where:
Base-Base interactions energy: -65.678
where: short stacking energy: -20.901
Base-Backbone interact. energy: 0.148
local terms energy: -45.280851
where:
bonds (distance) C4'-P energy: -12.871
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -6.313
tors. eta vs tors. theta energy: 3.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -235.067755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.067755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.067755 (E_RNA)
where:
Base-Base interactions energy: -158.678
where: short stacking energy: -74.016
Base-Backbone interact. energy: -0.542
local terms energy: -75.847829
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -16.025
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -11.985
tors. eta vs tors. theta energy: -19.875
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: 10
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -227.554835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.554835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.554835 (E_RNA)
where:
Base-Base interactions energy: -151.137
where: short stacking energy: -74.957
Base-Backbone interact. energy: -0.001
local terms energy: -76.416611
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -12.612
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -12.435
tors. eta vs tors. theta energy: -21.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -222.868173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.868173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.868173 (E_RNA)
where:
Base-Base interactions energy: -143.794
where: short stacking energy: -71.809
Base-Backbone interact. energy: -0.052
local terms energy: -79.022525
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -17.127
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -12.716
tors. eta vs tors. theta energy: -21.806
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: 8
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -208.303679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.303679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.303679 (E_RNA)
where:
Base-Base interactions energy: -136.069
where: short stacking energy: -66.999
Base-Backbone interact. energy: -0.001
local terms energy: -72.233384
where:
bonds (distance) C4'-P energy: -14.183
bonds (distance) P-C4' energy: -13.947
flat angles C4'-P-C4' energy: -12.917
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: -18.975
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: 5, replica: 3
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -204.993990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.993990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.993990 (E_RNA)
where:
Base-Base interactions energy: -130.259
where: short stacking energy: -63.032
Base-Backbone interact. energy: -0.093
local terms energy: -74.642115
where:
bonds (distance) C4'-P energy: -12.562
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -16.334
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: 7
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -189.408363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.408363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.408363 (E_RNA)
where:
Base-Base interactions energy: -122.383
where: short stacking energy: -53.806
Base-Backbone interact. energy: -0.032
local terms energy: -66.993807
where:
bonds (distance) C4'-P energy: -17.070
bonds (distance) P-C4' energy: -9.868
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -13.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -142.062258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.062258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.062258 (E_RNA)
where:
Base-Base interactions energy: -80.921
where: short stacking energy: -38.769
Base-Backbone interact. energy: 0.285
local terms energy: -61.426274
where:
bonds (distance) C4'-P energy: -13.848
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -6.272
tors. eta vs tors. theta energy: -12.324
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: 1
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -158.546668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.546668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.546668 (E_RNA)
where:
Base-Base interactions energy: -94.799
where: short stacking energy: -46.985
Base-Backbone interact. energy: -0.003
local terms energy: -63.745343
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -10.837
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: -12.650
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: 9, replica: 5
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -78.975566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.975566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.975566 (E_RNA)
where:
Base-Base interactions energy: -29.598
where: short stacking energy: -29.598
Base-Backbone interact. energy: -0.076
local terms energy: -49.301730
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -11.874
flat angles C4'-P-C4' energy: -12.919
flat angles P-C4'-P energy: -4.290
tors. eta vs tors. theta energy: -5.682
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: 265
Temperature: 1.350000
Total energy: -138.358992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.358992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.358992 (E_RNA)
where:
Base-Base interactions energy: -78.568
where: short stacking energy: -39.186
Base-Backbone interact. energy: -0.116
local terms energy: -59.675216
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -6.932
tors. eta vs tors. theta energy: -6.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -233.312364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.312364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.312364 (E_RNA)
where:
Base-Base interactions energy: -151.103
where: short stacking energy: -72.392
Base-Backbone interact. energy: -0.437
local terms energy: -81.772557
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -17.592
flat angles P-C4'-P energy: -11.779
tors. eta vs tors. theta energy: -22.327
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: 10
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -228.430219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.430219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.430219 (E_RNA)
where:
Base-Base interactions energy: -150.387
where: short stacking energy: -73.279
Base-Backbone interact. energy: -1.136
local terms energy: -76.907869
where:
bonds (distance) C4'-P energy: -14.224
bonds (distance) P-C4' energy: -13.431
flat angles C4'-P-C4' energy: -17.756
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -22.363
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: 3, replica: 2
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -214.232463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.232463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.232463 (E_RNA)
where:
Base-Base interactions energy: -141.910
where: short stacking energy: -67.606
Base-Backbone interact. energy: -0.709
local terms energy: -71.613638
where:
bonds (distance) C4'-P energy: -10.135
bonds (distance) P-C4' energy: -12.997
flat angles C4'-P-C4' energy: -17.115
flat angles P-C4'-P energy: -13.500
tors. eta vs tors. theta energy: -17.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -222.123394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.123394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.123394 (E_RNA)
where:
Base-Base interactions energy: -153.698
where: short stacking energy: -70.947
Base-Backbone interact. energy: -0.303
local terms energy: -68.122499
where:
bonds (distance) C4'-P energy: -10.994
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -13.389
flat angles P-C4'-P energy: -7.461
tors. eta vs tors. theta energy: -19.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -205.175597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.175597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.175597 (E_RNA)
where:
Base-Base interactions energy: -135.732
where: short stacking energy: -63.968
Base-Backbone interact. energy: -0.249
local terms energy: -69.194115
where:
bonds (distance) C4'-P energy: -9.562
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -17.064
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -17.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -200.832204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.832204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.832204 (E_RNA)
where:
Base-Base interactions energy: -124.349
where: short stacking energy: -63.378
Base-Backbone interact. energy: -0.006
local terms energy: -76.477030
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -16.794
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -19.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -165.337817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.337817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.337817 (E_RNA)
where:
Base-Base interactions energy: -106.149
where: short stacking energy: -53.821
Base-Backbone interact. energy: 0.565
local terms energy: -59.753745
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -11.965
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: -13.455
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: 4
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -149.584090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.584090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.584090 (E_RNA)
where:
Base-Base interactions energy: -82.162
where: short stacking energy: -42.281
Base-Backbone interact. energy: -0.111
local terms energy: -67.311033
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -11.556
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: -15.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -85.694566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.694566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.694566 (E_RNA)
where:
Base-Base interactions energy: -28.006
where: short stacking energy: -28.006
Base-Backbone interact. energy: -0.890
local terms energy: -56.798734
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -17.858
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -3.757
tors. eta vs tors. theta energy: -5.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -85.743273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.743273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.743273 (E_RNA)
where:
Base-Base interactions energy: -47.345
where: short stacking energy: -32.015
Base-Backbone interact. energy: -0.030
local terms energy: -38.368281
where:
bonds (distance) C4'-P energy: -8.968
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -5.287
flat angles P-C4'-P energy: -4.028
tors. eta vs tors. theta energy: -2.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -230.679743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.679743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.679743 (E_RNA)
where:
Base-Base interactions energy: -152.129
where: short stacking energy: -67.474
Base-Backbone interact. energy: -0.082
local terms energy: -78.468593
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -13.875
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: 2, replica: 2
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -231.011617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.011617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.011617 (E_RNA)
where:
Base-Base interactions energy: -152.408
where: short stacking energy: -72.831
Base-Backbone interact. energy: -0.003
local terms energy: -78.600325
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -12.367
flat angles P-C4'-P energy: -12.554
tors. eta vs tors. theta energy: -23.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -221.101686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.101686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.101686 (E_RNA)
where:
Base-Base interactions energy: -146.193
where: short stacking energy: -67.378
Base-Backbone interact. energy: 0.454
local terms energy: -75.362786
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -16.409
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -20.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -211.364803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.364803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.364803 (E_RNA)
where:
Base-Base interactions energy: -134.354
where: short stacking energy: -65.379
Base-Backbone interact. energy: -0.647
local terms energy: -76.363571
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -19.313
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: 8
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -212.308258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.308258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.308258 (E_RNA)
where:
Base-Base interactions energy: -137.041
where: short stacking energy: -62.258
Base-Backbone interact. energy: -0.002
local terms energy: -75.264652
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -16.715
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -8.699
tors. eta vs tors. theta energy: -18.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -163.500140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.500140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.500140 (E_RNA)
where:
Base-Base interactions energy: -103.858
where: short stacking energy: -51.327
Base-Backbone interact. energy: -0.067
local terms energy: -59.574597
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -9.634
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: -10.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -186.674027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.674027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.674027 (E_RNA)
where:
Base-Base interactions energy: -128.238
where: short stacking energy: -51.733
Base-Backbone interact. energy: -0.148
local terms energy: -58.288629
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -11.134
flat angles C4'-P-C4' energy: -17.729
flat angles P-C4'-P energy: -2.372
tors. eta vs tors. theta energy: -14.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -168.531207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.531207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.531207 (E_RNA)
where:
Base-Base interactions energy: -113.650
where: short stacking energy: -52.088
Base-Backbone interact. energy: -0.626
local terms energy: -54.254265
where:
bonds (distance) C4'-P energy: -7.984
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -13.571
flat angles P-C4'-P energy: -5.279
tors. eta vs tors. theta energy: -14.061
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: 9
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -81.271623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.271623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.271623 (E_RNA)
where:
Base-Base interactions energy: -33.412
where: short stacking energy: -33.412
Base-Backbone interact. energy: -0.131
local terms energy: -47.729138
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -9.208
flat angles P-C4'-P energy: -7.840
tors. eta vs tors. theta energy: -2.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -79.383197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.383197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.383197 (E_RNA)
where:
Base-Base interactions energy: -36.249
where: short stacking energy: -32.819
Base-Backbone interact. energy: -0.101
local terms energy: -43.034099
where:
bonds (distance) C4'-P energy: -7.757
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -11.309
flat angles P-C4'-P energy: -7.076
tors. eta vs tors. theta energy: -0.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -229.072955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.072955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.072955 (E_RNA)
where:
Base-Base interactions energy: -152.069
where: short stacking energy: -66.976
Base-Backbone interact. energy: -0.032
local terms energy: -76.972077
where:
bonds (distance) C4'-P energy: -16.728
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -7.756
tors. eta vs tors. theta energy: -17.939
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: 2, replica: 6
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -224.897275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.897275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.897275 (E_RNA)
where:
Base-Base interactions energy: -148.806
where: short stacking energy: -69.163
Base-Backbone interact. energy: -0.007
local terms energy: -76.084297
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -12.343
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -19.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -221.427258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.427258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.427258 (E_RNA)
where:
Base-Base interactions energy: -150.202
where: short stacking energy: -75.121
Base-Backbone interact. energy: -0.166
local terms energy: -71.058695
where:
bonds (distance) C4'-P energy: -11.494
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -11.613
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -20.606
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: 10
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -216.006034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.006034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.006034 (E_RNA)
where:
Base-Base interactions energy: -140.361
where: short stacking energy: -65.800
Base-Backbone interact. energy: -0.609
local terms energy: -75.036190
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -20.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -210.324648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.324648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.324648 (E_RNA)
where:
Base-Base interactions energy: -141.705
where: short stacking energy: -66.609
Base-Backbone interact. energy: -0.947
local terms energy: -67.672780
where:
bonds (distance) C4'-P energy: -8.289
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -17.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -175.038231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.038231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.038231 (E_RNA)
where:
Base-Base interactions energy: -112.886
where: short stacking energy: -57.843
Base-Backbone interact. energy: 0.158
local terms energy: -62.309876
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -11.756
flat angles C4'-P-C4' energy: -12.736
flat angles P-C4'-P energy: -7.646
tors. eta vs tors. theta energy: -13.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -184.528089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.528089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.528089 (E_RNA)
where:
Base-Base interactions energy: -122.623
where: short stacking energy: -58.016
Base-Backbone interact. energy: -0.281
local terms energy: -61.623230
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -11.620
flat angles C4'-P-C4' energy: -13.294
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -11.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -151.193840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.193840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.193840 (E_RNA)
where:
Base-Base interactions energy: -90.868
where: short stacking energy: -50.085
Base-Backbone interact. energy: 1.245
local terms energy: -61.570467
where:
bonds (distance) C4'-P energy: -10.744
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -17.236
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -8.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -112.030911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.030911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.030911 (E_RNA)
where:
Base-Base interactions energy: -72.490
where: short stacking energy: -35.238
Base-Backbone interact. energy: -1.055
local terms energy: -38.485850
where:
bonds (distance) C4'-P energy: -3.641
bonds (distance) P-C4' energy: -14.947
flat angles C4'-P-C4' energy: -8.634
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -2.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -74.880229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.880229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.880229 (E_RNA)
where:
Base-Base interactions energy: -29.552
where: short stacking energy: -26.122
Base-Backbone interact. energy: -0.112
local terms energy: -45.216720
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -12.795
flat angles C4'-P-C4' energy: -6.395
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -3.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -231.209212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.209212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.209212 (E_RNA)
where:
Base-Base interactions energy: -149.663
where: short stacking energy: -74.525
Base-Backbone interact. energy: -0.041
local terms energy: -81.504951
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -14.570
tors. eta vs tors. theta energy: -22.030
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: 3
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -235.432883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.432883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.432883 (E_RNA)
where:
Base-Base interactions energy: -157.452
where: short stacking energy: -74.314
Base-Backbone interact. energy: -0.011
local terms energy: -77.969730
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -17.830
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -20.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -216.938083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.938083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.938083 (E_RNA)
where:
Base-Base interactions energy: -146.768
where: short stacking energy: -70.357
Base-Backbone interact. energy: -0.137
local terms energy: -70.033189
where:
bonds (distance) C4'-P energy: -9.042
bonds (distance) P-C4' energy: -13.549
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -20.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -213.640456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.640456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.640456 (E_RNA)
where:
Base-Base interactions energy: -148.841
where: short stacking energy: -72.906
Base-Backbone interact. energy: -0.001
local terms energy: -64.799114
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -10.711
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -9.214
tors. eta vs tors. theta energy: -17.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -212.747530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.747530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.747530 (E_RNA)
where:
Base-Base interactions energy: -143.102
where: short stacking energy: -66.288
Base-Backbone interact. energy: 0.209
local terms energy: -69.853779
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -12.174
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -17.145
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: 7
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -200.274168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.274168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.274168 (E_RNA)
where:
Base-Base interactions energy: -126.928
where: short stacking energy: -63.825
Base-Backbone interact. energy: -0.364
local terms energy: -72.982093
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -17.556
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -17.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -157.426003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.426003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.426003 (E_RNA)
where:
Base-Base interactions energy: -102.630
where: short stacking energy: -51.590
Base-Backbone interact. energy: 0.348
local terms energy: -55.143847
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -12.378
flat angles P-C4'-P energy: -2.992
tors. eta vs tors. theta energy: -5.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -126.660045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.660045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.660045 (E_RNA)
where:
Base-Base interactions energy: -68.192
where: short stacking energy: -37.621
Base-Backbone interact. energy: -0.675
local terms energy: -57.792342
where:
bonds (distance) C4'-P energy: -11.535
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -6.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -152.064135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.064135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.064135 (E_RNA)
where:
Base-Base interactions energy: -102.013
where: short stacking energy: -41.524
Base-Backbone interact. energy: -0.477
local terms energy: -49.574229
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -10.167
flat angles C4'-P-C4' energy: -11.608
flat angles P-C4'-P energy: -7.388
tors. eta vs tors. theta energy: -6.375
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: 5
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -82.685147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.685147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.685147 (E_RNA)
where:
Base-Base interactions energy: -31.249
where: short stacking energy: -25.981
Base-Backbone interact. energy: -0.442
local terms energy: -50.993451
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -11.834
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -2.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -238.967707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.967707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.967707 (E_RNA)
where:
Base-Base interactions energy: -159.248
where: short stacking energy: -75.352
Base-Backbone interact. energy: -0.587
local terms energy: -79.133008
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -12.954
tors. eta vs tors. theta energy: -20.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -230.655668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.655668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.655668 (E_RNA)
where:
Base-Base interactions energy: -151.191
where: short stacking energy: -76.108
Base-Backbone interact. energy: -0.440
local terms energy: -79.023742
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -15.476
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: -21.885
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: 270
Temperature: 1.000000
Total energy: -223.515000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.515000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.515000 (E_RNA)
where:
Base-Base interactions energy: -150.566
where: short stacking energy: -76.842
Base-Backbone interact. energy: -0.174
local terms energy: -72.774500
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -10.131
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: -21.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -216.335831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.335831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.335831 (E_RNA)
where:
Base-Base interactions energy: -143.923
where: short stacking energy: -71.336
Base-Backbone interact. energy: -0.001
local terms energy: -72.411937
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -15.133
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -20.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -212.858538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.858538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.858538 (E_RNA)
where:
Base-Base interactions energy: -147.902
where: short stacking energy: -67.114
Base-Backbone interact. energy: -0.001
local terms energy: -64.955802
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -9.580
flat angles C4'-P-C4' energy: -11.243
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -21.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -197.514013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.514013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.514013 (E_RNA)
where:
Base-Base interactions energy: -131.904
where: short stacking energy: -65.901
Base-Backbone interact. energy: -0.685
local terms energy: -64.924987
where:
bonds (distance) C4'-P energy: -9.477
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -20.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -159.079817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.079817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.079817 (E_RNA)
where:
Base-Base interactions energy: -97.033
where: short stacking energy: -52.773
Base-Backbone interact. energy: 0.368
local terms energy: -62.415477
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -13.108
flat angles C4'-P-C4' energy: -17.106
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: -11.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -132.431610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.431610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.431610 (E_RNA)
where:
Base-Base interactions energy: -90.835
where: short stacking energy: -44.763
Base-Backbone interact. energy: -0.025
local terms energy: -41.571615
where:
bonds (distance) C4'-P energy: -5.943
bonds (distance) P-C4' energy: -7.855
flat angles C4'-P-C4' energy: -9.695
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: -10.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -134.973530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.973530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.973530 (E_RNA)
where:
Base-Base interactions energy: -81.668
where: short stacking energy: -39.122
Base-Backbone interact. energy: -0.995
local terms energy: -52.310419
where:
bonds (distance) C4'-P energy: -6.098
bonds (distance) P-C4' energy: -13.391
flat angles C4'-P-C4' energy: -12.601
flat angles P-C4'-P energy: -12.541
tors. eta vs tors. theta energy: -7.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -77.701422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.701422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.701422 (E_RNA)
where:
Base-Base interactions energy: -31.701
where: short stacking energy: -26.900
Base-Backbone interact. energy: -0.105
local terms energy: -45.895570
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -16.264
flat angles C4'-P-C4' energy: -9.195
flat angles P-C4'-P energy: -5.736
tors. eta vs tors. theta energy: -0.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -230.576144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.576144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.576144 (E_RNA)
where:
Base-Base interactions energy: -158.084
where: short stacking energy: -73.152
Base-Backbone interact. energy: -0.001
local terms energy: -72.490719
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -13.214
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -20.981
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: 271
Temperature: 0.950000
Total energy: -229.665625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.665625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.665625 (E_RNA)
where:
Base-Base interactions energy: -150.318
where: short stacking energy: -69.592
Base-Backbone interact. energy: -0.939
local terms energy: -78.408658
where:
bonds (distance) C4'-P energy: -18.291
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -7.806
tors. eta vs tors. theta energy: -22.235
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: 6
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -218.846969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.846969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.846969 (E_RNA)
where:
Base-Base interactions energy: -147.744
where: short stacking energy: -71.947
Base-Backbone interact. energy: -0.792
local terms energy: -70.311195
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -17.010
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: 4, replica: 7
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -208.084710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.084710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.084710 (E_RNA)
where:
Base-Base interactions energy: -134.534
where: short stacking energy: -58.554
Base-Backbone interact. energy: -0.567
local terms energy: -72.983393
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -16.880
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -17.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -223.187339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.187339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.187339 (E_RNA)
where:
Base-Base interactions energy: -148.882
where: short stacking energy: -73.440
Base-Backbone interact. energy: 0.641
local terms energy: -74.945899
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -18.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -206.716717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.716717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.716717 (E_RNA)
where:
Base-Base interactions energy: -136.630
where: short stacking energy: -66.348
Base-Backbone interact. energy: -0.028
local terms energy: -70.058556
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -12.810
tors. eta vs tors. theta energy: -16.113
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: 1
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -137.910570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.910570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.910570 (E_RNA)
where:
Base-Base interactions energy: -80.948
where: short stacking energy: -39.569
Base-Backbone interact. energy: -0.110
local terms energy: -56.852938
where:
bonds (distance) C4'-P energy: -9.975
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: -6.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -146.850613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.850613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.850613 (E_RNA)
where:
Base-Base interactions energy: -94.400
where: short stacking energy: -38.901
Base-Backbone interact. energy: -0.653
local terms energy: -51.797291
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -9.200
flat angles C4'-P-C4' energy: -13.619
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -6.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -90.057287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.057287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.057287 (E_RNA)
where:
Base-Base interactions energy: -34.291
where: short stacking energy: -33.133
Base-Backbone interact. energy: -0.060
local terms energy: -55.706289
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -10.747
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -4.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -84.189824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.189824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.189824 (E_RNA)
where:
Base-Base interactions energy: -37.922
where: short stacking energy: -35.660
Base-Backbone interact. energy: -0.101
local terms energy: -46.166507
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -11.511
flat angles P-C4'-P energy: -3.793
tors. eta vs tors. theta energy: -3.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -238.181678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.181678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.181678 (E_RNA)
where:
Base-Base interactions energy: -155.569
where: short stacking energy: -75.442
Base-Backbone interact. energy: -0.607
local terms energy: -82.005373
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -12.712
tors. eta vs tors. theta energy: -22.111
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: 3
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -235.277857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.277857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.277857 (E_RNA)
where:
Base-Base interactions energy: -156.070
where: short stacking energy: -76.973
Base-Backbone interact. energy: -0.211
local terms energy: -78.996628
where:
bonds (distance) C4'-P energy: -10.708
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -13.015
tors. eta vs tors. theta energy: -23.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -215.043220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.043220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.043220 (E_RNA)
where:
Base-Base interactions energy: -138.108
where: short stacking energy: -71.197
Base-Backbone interact. energy: -0.002
local terms energy: -76.932521
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -14.521
flat angles C4'-P-C4' energy: -16.357
flat angles P-C4'-P energy: -11.989
tors. eta vs tors. theta energy: -21.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -221.692792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.692792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.692792 (E_RNA)
where:
Base-Base interactions energy: -149.135
where: short stacking energy: -73.284
Base-Backbone interact. energy: -0.006
local terms energy: -72.551192
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -20.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -210.722170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.722170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.722170 (E_RNA)
where:
Base-Base interactions energy: -134.897
where: short stacking energy: -68.596
Base-Backbone interact. energy: -0.002
local terms energy: -75.823494
where:
bonds (distance) C4'-P energy: -10.773
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -12.593
tors. eta vs tors. theta energy: -19.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -201.789431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.789431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.789431 (E_RNA)
where:
Base-Base interactions energy: -131.090
where: short stacking energy: -59.322
Base-Backbone interact. energy: -0.015
local terms energy: -70.684531
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -9.586
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: 7, replica: 9
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -163.182358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.182358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.182358 (E_RNA)
where:
Base-Base interactions energy: -99.236
where: short stacking energy: -43.840
Base-Backbone interact. energy: -0.172
local terms energy: -63.774033
where:
bonds (distance) C4'-P energy: -12.361
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -6.853
tors. eta vs tors. theta energy: -12.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -125.131962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.131962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.131962 (E_RNA)
where:
Base-Base interactions energy: -74.212
where: short stacking energy: -32.463
Base-Backbone interact. energy: -0.136
local terms energy: -50.784493
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -9.988
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -4.877
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: 5
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -91.226454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.226454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.226454 (E_RNA)
where:
Base-Base interactions energy: -36.007
where: short stacking energy: -26.757
Base-Backbone interact. energy: -0.514
local terms energy: -54.705930
where:
bonds (distance) C4'-P energy: -8.562
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -12.626
tors. eta vs tors. theta energy: -3.164
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: 4
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -89.396886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.396886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.396886 (E_RNA)
where:
Base-Base interactions energy: -37.759
where: short stacking energy: -31.316
Base-Backbone interact. energy: -0.003
local terms energy: -51.634713
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -5.910
tors. eta vs tors. theta energy: -1.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -231.231986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.231986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.231986 (E_RNA)
where:
Base-Base interactions energy: -151.485
where: short stacking energy: -77.620
Base-Backbone interact. energy: -2.125
local terms energy: -77.622119
where:
bonds (distance) C4'-P energy: -12.251
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -23.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -229.488490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.488490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.488490 (E_RNA)
where:
Base-Base interactions energy: -147.008
where: short stacking energy: -67.994
Base-Backbone interact. energy: -0.000
local terms energy: -82.480412
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -15.838
flat angles C4'-P-C4' energy: -17.968
flat angles P-C4'-P energy: -10.650
tors. eta vs tors. theta energy: -22.419
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: 273
Temperature: 1.000000
Total energy: -221.753807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.753807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.753807 (E_RNA)
where:
Base-Base interactions energy: -148.814
where: short stacking energy: -69.093
Base-Backbone interact. energy: -0.314
local terms energy: -72.625076
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -14.379
flat angles P-C4'-P energy: -8.136
tors. eta vs tors. theta energy: -20.007
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: 8
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -222.049096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.049096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.049096 (E_RNA)
where:
Base-Base interactions energy: -143.274
where: short stacking energy: -71.533
Base-Backbone interact. energy: -0.763
local terms energy: -78.012474
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -17.862
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -19.889
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: 273
Temperature: 1.100000
Total energy: -210.130106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.130106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.130106 (E_RNA)
where:
Base-Base interactions energy: -144.319
where: short stacking energy: -65.321
Base-Backbone interact. energy: -1.343
local terms energy: -64.468792
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -13.653
flat angles P-C4'-P energy: -7.303
tors. eta vs tors. theta energy: -13.738
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: 10
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -201.919543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.919543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.919543 (E_RNA)
where:
Base-Base interactions energy: -136.354
where: short stacking energy: -56.978
Base-Backbone interact. energy: -0.032
local terms energy: -65.534415
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -11.851
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -17.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -170.274116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.274116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.274116 (E_RNA)
where:
Base-Base interactions energy: -102.909
where: short stacking energy: -46.761
Base-Backbone interact. energy: -0.003
local terms energy: -67.361633
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -11.271
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: 1
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -111.880845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.880845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.880845 (E_RNA)
where:
Base-Base interactions energy: -62.341
where: short stacking energy: -37.884
Base-Backbone interact. energy: 0.062
local terms energy: -49.601935
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -11.970
flat angles C4'-P-C4' energy: -11.747
flat angles P-C4'-P energy: -3.627
tors. eta vs tors. theta energy: -9.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -80.752815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.752815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.752815 (E_RNA)
where:
Base-Base interactions energy: -27.133
where: short stacking energy: -27.133
Base-Backbone interact. energy: -0.075
local terms energy: -53.544941
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -12.290
flat angles P-C4'-P energy: -5.182
tors. eta vs tors. theta energy: -5.662
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: 4
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -77.317419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.317419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.317419 (E_RNA)
where:
Base-Base interactions energy: -34.223
where: short stacking energy: -22.548
Base-Backbone interact. energy: -0.126
local terms energy: -42.968957
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -12.432
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: 0.170
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: 3
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -233.346550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.346550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.346550 (E_RNA)
where:
Base-Base interactions energy: -153.882
where: short stacking energy: -74.381
Base-Backbone interact. energy: -0.002
local terms energy: -79.462869
where:
bonds (distance) C4'-P energy: -11.881
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -13.139
tors. eta vs tors. theta energy: -21.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -222.949102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.949102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.949102 (E_RNA)
where:
Base-Base interactions energy: -147.218
where: short stacking energy: -75.653
Base-Backbone interact. energy: -0.002
local terms energy: -75.729130
where:
bonds (distance) C4'-P energy: -17.228
bonds (distance) P-C4' energy: -12.271
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: -20.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -226.181843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.181843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.181843 (E_RNA)
where:
Base-Base interactions energy: -145.384
where: short stacking energy: -63.453
Base-Backbone interact. energy: -0.309
local terms energy: -80.488601
where:
bonds (distance) C4'-P energy: -15.913
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -17.547
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -21.214
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: 7
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -208.183596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.183596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.183596 (E_RNA)
where:
Base-Base interactions energy: -133.218
where: short stacking energy: -59.968
Base-Backbone interact. energy: -0.066
local terms energy: -74.899172
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -11.691
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: -20.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -202.479881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.479881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.479881 (E_RNA)
where:
Base-Base interactions energy: -127.924
where: short stacking energy: -61.830
Base-Backbone interact. energy: -0.001
local terms energy: -74.555401
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -15.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -197.577242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.577242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.577242 (E_RNA)
where:
Base-Base interactions energy: -133.745
where: short stacking energy: -57.385
Base-Backbone interact. energy: -0.715
local terms energy: -63.118043
where:
bonds (distance) C4'-P energy: -10.880
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -13.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -167.905739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.905739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.905739 (E_RNA)
where:
Base-Base interactions energy: -110.746
where: short stacking energy: -52.282
Base-Backbone interact. energy: -0.198
local terms energy: -56.961019
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -9.960
flat angles P-C4'-P energy: -7.448
tors. eta vs tors. theta energy: -9.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -124.969617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.969617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.969617 (E_RNA)
where:
Base-Base interactions energy: -81.268
where: short stacking energy: -29.116
Base-Backbone interact. energy: -0.260
local terms energy: -43.441909
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -8.378
flat angles P-C4'-P energy: -4.327
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: 9, replica: 5
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -86.588839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.588839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.588839 (E_RNA)
where:
Base-Base interactions energy: -36.291
where: short stacking energy: -38.191
Base-Backbone interact. energy: -0.061
local terms energy: -50.236477
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -5.631
tors. eta vs tors. theta energy: -3.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -75.827314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.827314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.827314 (E_RNA)
where:
Base-Base interactions energy: -22.134
where: short stacking energy: -21.237
Base-Backbone interact. energy: -0.250
local terms energy: -53.442847
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -6.527
tors. eta vs tors. theta energy: -1.293
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: 3
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -233.124347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.124347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.124347 (E_RNA)
where:
Base-Base interactions energy: -147.656
where: short stacking energy: -69.586
Base-Backbone interact. energy: -0.001
local terms energy: -85.467282
where:
bonds (distance) C4'-P energy: -15.104
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -18.114
flat angles P-C4'-P energy: -11.864
tors. eta vs tors. theta energy: -22.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -225.311949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.311949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.311949 (E_RNA)
where:
Base-Base interactions energy: -146.231
where: short stacking energy: -75.703
Base-Backbone interact. energy: -0.007
local terms energy: -79.073819
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -22.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -221.195008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.195008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.195008 (E_RNA)
where:
Base-Base interactions energy: -141.562
where: short stacking energy: -74.981
Base-Backbone interact. energy: -0.569
local terms energy: -79.063344
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -13.518
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -24.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -219.619024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.619024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.619024 (E_RNA)
where:
Base-Base interactions energy: -147.692
where: short stacking energy: -64.993
Base-Backbone interact. energy: -0.106
local terms energy: -71.821588
where:
bonds (distance) C4'-P energy: -14.511
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -17.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -203.309819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.309819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.309819 (E_RNA)
where:
Base-Base interactions energy: -138.166
where: short stacking energy: -61.238
Base-Backbone interact. energy: -0.250
local terms energy: -64.894135
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -6.007
tors. eta vs tors. theta energy: -15.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -176.921493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.921493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.921493 (E_RNA)
where:
Base-Base interactions energy: -116.548
where: short stacking energy: -52.966
Base-Backbone interact. energy: -0.066
local terms energy: -60.306764
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -11.815
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: -16.131
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: 10
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -197.299484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.299484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.299484 (E_RNA)
where:
Base-Base interactions energy: -130.277
where: short stacking energy: -68.632
Base-Backbone interact. energy: -0.499
local terms energy: -66.524099
where:
bonds (distance) C4'-P energy: -8.361
bonds (distance) P-C4' energy: -14.739
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -19.325
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: 1
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -134.885626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.885626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.885626 (E_RNA)
where:
Base-Base interactions energy: -82.214
where: short stacking energy: -37.847
Base-Backbone interact. energy: 0.203
local terms energy: -52.874926
where:
bonds (distance) C4'-P energy: -4.762
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -8.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -83.898081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.898081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.898081 (E_RNA)
where:
Base-Base interactions energy: -22.792
where: short stacking energy: -23.992
Base-Backbone interact. energy: -0.191
local terms energy: -60.914289
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -13.862
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -6.692
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: 4
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -70.771763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.771763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.771763 (E_RNA)
where:
Base-Base interactions energy: -24.139
where: short stacking energy: -23.874
Base-Backbone interact. energy: -0.216
local terms energy: -46.416574
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -12.209
flat angles C4'-P-C4' energy: -10.132
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: 2.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -233.923498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.923498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.923498 (E_RNA)
where:
Base-Base interactions energy: -152.880
where: short stacking energy: -68.034
Base-Backbone interact. energy: -0.060
local terms energy: -80.983239
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -12.914
tors. eta vs tors. theta energy: -19.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -228.954415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.954415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.954415 (E_RNA)
where:
Base-Base interactions energy: -149.739
where: short stacking energy: -76.801
Base-Backbone interact. energy: -0.243
local terms energy: -78.972215
where:
bonds (distance) C4'-P energy: -14.382
bonds (distance) P-C4' energy: -11.324
flat angles C4'-P-C4' energy: -18.052
flat angles P-C4'-P energy: -13.895
tors. eta vs tors. theta energy: -21.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -206.598110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.598110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.598110 (E_RNA)
where:
Base-Base interactions energy: -129.472
where: short stacking energy: -67.512
Base-Backbone interact. energy: -0.003
local terms energy: -77.124039
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -18.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -217.244424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.244424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.244424 (E_RNA)
where:
Base-Base interactions energy: -149.040
where: short stacking energy: -71.404
Base-Backbone interact. energy: -0.013
local terms energy: -68.191922
where:
bonds (distance) C4'-P energy: -8.857
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -9.139
tors. eta vs tors. theta energy: -20.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -205.971748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.971748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.971748 (E_RNA)
where:
Base-Base interactions energy: -143.904
where: short stacking energy: -64.020
Base-Backbone interact. energy: -0.007
local terms energy: -62.060649
where:
bonds (distance) C4'-P energy: -12.164
bonds (distance) P-C4' energy: -10.099
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: -14.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -170.971327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.971327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.971327 (E_RNA)
where:
Base-Base interactions energy: -107.518
where: short stacking energy: -55.660
Base-Backbone interact. energy: 0.568
local terms energy: -64.021836
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -11.564
flat angles C4'-P-C4' energy: -11.237
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -18.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -207.940825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.940825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.940825 (E_RNA)
where:
Base-Base interactions energy: -141.921
where: short stacking energy: -66.224
Base-Backbone interact. energy: -0.550
local terms energy: -65.469362
where:
bonds (distance) C4'-P energy: -9.121
bonds (distance) P-C4' energy: -10.229
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -20.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -129.267404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.267404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.267404 (E_RNA)
where:
Base-Base interactions energy: -79.822
where: short stacking energy: -37.449
Base-Backbone interact. energy: -0.083
local terms energy: -49.363261
where:
bonds (distance) C4'-P energy: -12.375
bonds (distance) P-C4' energy: -12.586
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -3.604
tors. eta vs tors. theta energy: -4.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -93.698916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.698916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.698916 (E_RNA)
where:
Base-Base interactions energy: -40.192
where: short stacking energy: -36.055
Base-Backbone interact. energy: -0.005
local terms energy: -53.501424
where:
bonds (distance) C4'-P energy: -12.609
bonds (distance) P-C4' energy: -10.725
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -7.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -81.940500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.940500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.940500 (E_RNA)
where:
Base-Base interactions energy: -28.738
where: short stacking energy: -28.738
Base-Backbone interact. energy: -0.064
local terms energy: -53.138735
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -13.880
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -5.922
tors. eta vs tors. theta energy: -6.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -236.054160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.054160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.054160 (E_RNA)
where:
Base-Base interactions energy: -159.012
where: short stacking energy: -76.793
Base-Backbone interact. energy: -0.003
local terms energy: -77.039162
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -12.602
tors. eta vs tors. theta energy: -22.115
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: 2, replica: 2
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -225.039426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.039426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.039426 (E_RNA)
where:
Base-Base interactions energy: -144.284
where: short stacking energy: -74.515
Base-Backbone interact. energy: -0.470
local terms energy: -80.285797
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -22.676
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: 277
Temperature: 1.000000
Total energy: -222.979651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.979651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.979651 (E_RNA)
where:
Base-Base interactions energy: -142.224
where: short stacking energy: -73.065
Base-Backbone interact. energy: -0.031
local terms energy: -80.724818
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: -21.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -215.203525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.203525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.203525 (E_RNA)
where:
Base-Base interactions energy: -145.315
where: short stacking energy: -63.000
Base-Backbone interact. energy: -0.042
local terms energy: -69.846095
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -5.357
tors. eta vs tors. theta energy: -22.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -212.979319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.979319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.979319 (E_RNA)
where:
Base-Base interactions energy: -142.503
where: short stacking energy: -70.065
Base-Backbone interact. energy: -0.077
local terms energy: -70.399254
where:
bonds (distance) C4'-P energy: -9.288
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -18.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -172.584826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.584826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.584826 (E_RNA)
where:
Base-Base interactions energy: -112.347
where: short stacking energy: -47.642
Base-Backbone interact. energy: -0.152
local terms energy: -60.085124
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -6.163
tors. eta vs tors. theta energy: -10.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -181.650868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.650868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.650868 (E_RNA)
where:
Base-Base interactions energy: -124.938
where: short stacking energy: -48.878
Base-Backbone interact. energy: -0.001
local terms energy: -56.711279
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -10.497
flat angles P-C4'-P energy: -2.723
tors. eta vs tors. theta energy: -15.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -86.029052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.029052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.029052 (E_RNA)
where:
Base-Base interactions energy: -32.481
where: short stacking energy: -24.955
Base-Backbone interact. energy: -0.198
local terms energy: -53.349957
where:
bonds (distance) C4'-P energy: -14.846
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -10.619
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -3.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -98.842659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.842659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.842659 (E_RNA)
where:
Base-Base interactions energy: -38.459
where: short stacking energy: -38.559
Base-Backbone interact. energy: -0.896
local terms energy: -59.487244
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -3.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -75.681189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.681189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.681189 (E_RNA)
where:
Base-Base interactions energy: -39.796
where: short stacking energy: -27.899
Base-Backbone interact. energy: -0.305
local terms energy: -35.580146
where:
bonds (distance) C4'-P energy: -8.930
bonds (distance) P-C4' energy: -11.194
flat angles C4'-P-C4' energy: -9.510
flat angles P-C4'-P energy: -3.466
tors. eta vs tors. theta energy: -2.480
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: 3
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -232.510605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.510605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.510605 (E_RNA)
where:
Base-Base interactions energy: -150.862
where: short stacking energy: -73.536
Base-Backbone interact. energy: -0.618
local terms energy: -81.030494
where:
bonds (distance) C4'-P energy: -13.905
bonds (distance) P-C4' energy: -13.965
flat angles C4'-P-C4' energy: -18.030
flat angles P-C4'-P energy: -13.293
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: 2, replica: 2
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -229.965210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.965210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.965210 (E_RNA)
where:
Base-Base interactions energy: -155.491
where: short stacking energy: -74.838
Base-Backbone interact. energy: -0.128
local terms energy: -74.345846
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -19.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -223.477035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.477035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.477035 (E_RNA)
where:
Base-Base interactions energy: -147.803
where: short stacking energy: -74.827
Base-Backbone interact. energy: -0.128
local terms energy: -75.546100
where:
bonds (distance) C4'-P energy: -7.785
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -11.236
tors. eta vs tors. theta energy: -22.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -204.100122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.100122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.100122 (E_RNA)
where:
Base-Base interactions energy: -133.255
where: short stacking energy: -61.490
Base-Backbone interact. energy: -0.587
local terms energy: -70.257604
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -14.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -161.179603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.179603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.179603 (E_RNA)
where:
Base-Base interactions energy: -93.212
where: short stacking energy: -45.479
Base-Backbone interact. energy: -0.067
local terms energy: -67.900686
where:
bonds (distance) C4'-P energy: -14.499
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -13.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -204.054237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.054237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.054237 (E_RNA)
where:
Base-Base interactions energy: -139.076
where: short stacking energy: -65.329
Base-Backbone interact. energy: -0.315
local terms energy: -64.663405
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -6.466
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -17.421
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: 10
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -198.166258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.166258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.166258 (E_RNA)
where:
Base-Base interactions energy: -135.786
where: short stacking energy: -66.461
Base-Backbone interact. energy: -0.050
local terms energy: -62.330753
where:
bonds (distance) C4'-P energy: -9.939
bonds (distance) P-C4' energy: -12.019
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: -19.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -88.035141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.035141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.035141 (E_RNA)
where:
Base-Base interactions energy: -36.016
where: short stacking energy: -30.580
Base-Backbone interact. energy: -0.472
local terms energy: -51.547156
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -13.265
flat angles C4'-P-C4' energy: -8.903
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -5.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -91.413809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.413809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.413809 (E_RNA)
where:
Base-Base interactions energy: -47.045
where: short stacking energy: -39.141
Base-Backbone interact. energy: -0.165
local terms energy: -44.204145
where:
bonds (distance) C4'-P energy: -4.936
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -1.852
tors. eta vs tors. theta energy: -8.797
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: 1
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -84.614162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.614162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.614162 (E_RNA)
where:
Base-Base interactions energy: -37.107
where: short stacking energy: -36.252
Base-Backbone interact. energy: -0.012
local terms energy: -47.495702
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -7.004
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -7.065
tors. eta vs tors. theta energy: -5.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -236.072256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.072256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.072256 (E_RNA)
where:
Base-Base interactions energy: -156.029
where: short stacking energy: -78.670
Base-Backbone interact. energy: -0.001
local terms energy: -80.042196
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -16.009
flat angles P-C4'-P energy: -13.492
tors. eta vs tors. theta energy: -20.387
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: 279
Temperature: 0.950000
Total energy: -230.318821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.318821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.318821 (E_RNA)
where:
Base-Base interactions energy: -151.813
where: short stacking energy: -68.691
Base-Backbone interact. energy: -0.521
local terms energy: -77.984513
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -21.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -226.760893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.760893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.760893 (E_RNA)
where:
Base-Base interactions energy: -158.293
where: short stacking energy: -76.469
Base-Backbone interact. energy: -0.072
local terms energy: -68.396207
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -7.846
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -18.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -193.948092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.948092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.948092 (E_RNA)
where:
Base-Base interactions energy: -130.070
where: short stacking energy: -58.813
Base-Backbone interact. energy: -0.013
local terms energy: -63.864472
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -10.390
flat angles P-C4'-P energy: -11.584
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: 5, replica: 9
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -147.934429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.934429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.934429 (E_RNA)
where:
Base-Base interactions energy: -91.944
where: short stacking energy: -42.701
Base-Backbone interact. energy: -1.296
local terms energy: -54.694454
where:
bonds (distance) C4'-P energy: -13.940
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -11.993
flat angles P-C4'-P energy: -4.165
tors. eta vs tors. theta energy: -8.733
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: 10
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -208.895995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.895995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.895995 (E_RNA)
where:
Base-Base interactions energy: -140.318
where: short stacking energy: -61.170
Base-Backbone interact. energy: -0.113
local terms energy: -68.464822
where:
bonds (distance) C4'-P energy: -10.290
bonds (distance) P-C4' energy: -14.705
flat angles C4'-P-C4' energy: -14.379
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -17.679
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: 7, replica: 7
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -202.736902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.736902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.736902 (E_RNA)
where:
Base-Base interactions energy: -131.010
where: short stacking energy: -61.997
Base-Backbone interact. energy: -0.739
local terms energy: -70.987724
where:
bonds (distance) C4'-P energy: -12.661
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -13.218
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -19.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -87.288160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.288160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.288160 (E_RNA)
where:
Base-Base interactions energy: -37.757
where: short stacking energy: -29.488
Base-Backbone interact. energy: -0.071
local terms energy: -49.459578
where:
bonds (distance) C4'-P energy: -11.524
bonds (distance) P-C4' energy: -12.312
flat angles C4'-P-C4' energy: -12.101
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -2.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -85.639626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.639626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.639626 (E_RNA)
where:
Base-Base interactions energy: -34.646
where: short stacking energy: -31.564
Base-Backbone interact. energy: 0.850
local terms energy: -51.843914
where:
bonds (distance) C4'-P energy: -8.702
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -12.147
tors. eta vs tors. theta energy: -4.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -80.032360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.032360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.032360 (E_RNA)
where:
Base-Base interactions energy: -35.156
where: short stacking energy: -27.767
Base-Backbone interact. energy: -0.246
local terms energy: -44.630028
where:
bonds (distance) C4'-P energy: -4.611
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -12.540
flat angles P-C4'-P energy: -8.914
tors. eta vs tors. theta energy: -3.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -233.021321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.021321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.021321 (E_RNA)
where:
Base-Base interactions energy: -161.240
where: short stacking energy: -74.286
Base-Backbone interact. energy: -0.096
local terms energy: -71.684549
where:
bonds (distance) C4'-P energy: -11.088
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: -16.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -232.281328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.281328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.281328 (E_RNA)
where:
Base-Base interactions energy: -151.791
where: short stacking energy: -80.298
Base-Backbone interact. energy: -0.004
local terms energy: -80.486541
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -24.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -217.792354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.792354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.792354 (E_RNA)
where:
Base-Base interactions energy: -141.851
where: short stacking energy: -63.648
Base-Backbone interact. energy: -0.429
local terms energy: -75.512843
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -21.565
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: 4, replica: 6
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -205.623754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.623754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.623754 (E_RNA)
where:
Base-Base interactions energy: -143.997
where: short stacking energy: -64.367
Base-Backbone interact. energy: -0.144
local terms energy: -61.482027
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -8.300
tors. eta vs tors. theta energy: -12.459
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: 10
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -216.127979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.127979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.127979 (E_RNA)
where:
Base-Base interactions energy: -144.020
where: short stacking energy: -70.389
Base-Backbone interact. energy: -0.002
local terms energy: -72.106485
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -17.274
flat angles P-C4'-P energy: -11.151
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: 6, replica: 9
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -145.729136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.729136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.729136 (E_RNA)
where:
Base-Base interactions energy: -90.087
where: short stacking energy: -43.632
Base-Backbone interact. energy: -0.058
local terms energy: -55.584408
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -9.600
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -7.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -184.363666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.363666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.363666 (E_RNA)
where:
Base-Base interactions energy: -128.606
where: short stacking energy: -60.926
Base-Backbone interact. energy: -0.026
local terms energy: -55.732120
where:
bonds (distance) C4'-P energy: -9.886
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -10.707
flat angles P-C4'-P energy: -10.995
tors. eta vs tors. theta energy: -10.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -81.356635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.356635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.356635 (E_RNA)
where:
Base-Base interactions energy: -26.329
where: short stacking energy: -25.368
Base-Backbone interact. energy: -0.331
local terms energy: -54.696298
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -2.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -76.795319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.795319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.795319 (E_RNA)
where:
Base-Base interactions energy: -25.419
where: short stacking energy: -21.271
Base-Backbone interact. energy: 0.796
local terms energy: -52.172612
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -11.846
tors. eta vs tors. theta energy: -0.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -78.989859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.989859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.989859 (E_RNA)
where:
Base-Base interactions energy: -37.227
where: short stacking energy: -37.070
Base-Backbone interact. energy: -0.100
local terms energy: -41.662534
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -13.154
flat angles C4'-P-C4' energy: -9.237
flat angles P-C4'-P energy: -1.447
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: 8
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -232.779377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.779377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.779377 (E_RNA)
where:
Base-Base interactions energy: -148.931
where: short stacking energy: -73.209
Base-Backbone interact. energy: -0.000
local terms energy: -83.847830
where:
bonds (distance) C4'-P energy: -17.352
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -23.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -231.391986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.391986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.391986 (E_RNA)
where:
Base-Base interactions energy: -152.058
where: short stacking energy: -76.658
Base-Backbone interact. energy: -0.022
local terms energy: -79.312198
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -22.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -220.555373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.555373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.555373 (E_RNA)
where:
Base-Base interactions energy: -143.060
where: short stacking energy: -74.349
Base-Backbone interact. energy: -0.736
local terms energy: -76.759270
where:
bonds (distance) C4'-P energy: -15.379
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -11.254
tors. eta vs tors. theta energy: -21.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -214.028512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.028512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.028512 (E_RNA)
where:
Base-Base interactions energy: -147.137
where: short stacking energy: -73.133
Base-Backbone interact. energy: -0.013
local terms energy: -66.877903
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -16.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -215.111332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.111332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.111332 (E_RNA)
where:
Base-Base interactions energy: -139.256
where: short stacking energy: -66.900
Base-Backbone interact. energy: -0.048
local terms energy: -75.806860
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -16.319
flat angles P-C4'-P energy: -12.356
tors. eta vs tors. theta energy: -20.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -185.193329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.193329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.193329 (E_RNA)
where:
Base-Base interactions energy: -120.633
where: short stacking energy: -51.718
Base-Backbone interact. energy: -0.371
local terms energy: -64.189581
where:
bonds (distance) C4'-P energy: -10.100
bonds (distance) P-C4' energy: -15.824
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -8.613
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: 7, replica: 9
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -145.031930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.031930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.031930 (E_RNA)
where:
Base-Base interactions energy: -89.066
where: short stacking energy: -46.533
Base-Backbone interact. energy: -0.118
local terms energy: -55.847702
where:
bonds (distance) C4'-P energy: -11.529
bonds (distance) P-C4' energy: -11.014
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -7.374
tors. eta vs tors. theta energy: -11.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -85.002135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.002135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.002135 (E_RNA)
where:
Base-Base interactions energy: -37.081
where: short stacking energy: -29.856
Base-Backbone interact. energy: -0.521
local terms energy: -47.400132
where:
bonds (distance) C4'-P energy: -10.949
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -12.657
flat angles P-C4'-P energy: -5.555
tors. eta vs tors. theta energy: -1.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -82.572736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.572736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.572736 (E_RNA)
where:
Base-Base interactions energy: -32.065
where: short stacking energy: -16.734
Base-Backbone interact. energy: -0.076
local terms energy: -50.432372
where:
bonds (distance) C4'-P energy: -12.797
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -8.118
flat angles P-C4'-P energy: -11.550
tors. eta vs tors. theta energy: -2.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -85.301485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.301485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.301485 (E_RNA)
where:
Base-Base interactions energy: -31.963
where: short stacking energy: -22.247
Base-Backbone interact. energy: -1.588
local terms energy: -51.751010
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -7.096
tors. eta vs tors. theta energy: -0.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -229.868337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.868337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.868337 (E_RNA)
where:
Base-Base interactions energy: -150.288
where: short stacking energy: -77.970
Base-Backbone interact. energy: -1.043
local terms energy: -78.537364
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -17.461
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -22.703
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: 282
Temperature: 0.950000
Total energy: -229.884687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.884687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.884687 (E_RNA)
where:
Base-Base interactions energy: -151.589
where: short stacking energy: -81.894
Base-Backbone interact. energy: -0.482
local terms energy: -77.814082
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -16.344
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -22.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -228.663384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.663384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.663384 (E_RNA)
where:
Base-Base interactions energy: -155.781
where: short stacking energy: -75.830
Base-Backbone interact. energy: -0.044
local terms energy: -72.838177
where:
bonds (distance) C4'-P energy: -16.092
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -12.367
flat angles P-C4'-P energy: -7.500
tors. eta vs tors. theta energy: -21.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -219.656175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.656175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.656175 (E_RNA)
where:
Base-Base interactions energy: -144.456
where: short stacking energy: -67.930
Base-Backbone interact. energy: -0.575
local terms energy: -74.625592
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -13.822
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -18.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -197.363487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.363487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.363487 (E_RNA)
where:
Base-Base interactions energy: -134.860
where: short stacking energy: -58.318
Base-Backbone interact. energy: -0.128
local terms energy: -62.375157
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -10.701
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -13.648
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: 6
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -215.333978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.333978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.333978 (E_RNA)
where:
Base-Base interactions energy: -143.778
where: short stacking energy: -68.334
Base-Backbone interact. energy: -0.533
local terms energy: -71.022893
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -13.643
flat angles C4'-P-C4' energy: -17.571
flat angles P-C4'-P energy: -6.963
tors. eta vs tors. theta energy: -18.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -141.570168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.570168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.570168 (E_RNA)
where:
Base-Base interactions energy: -79.859
where: short stacking energy: -40.670
Base-Backbone interact. energy: -0.200
local terms energy: -61.510492
where:
bonds (distance) C4'-P energy: -8.808
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -12.952
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: 8, replica: 1
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -81.481954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.481954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.481954 (E_RNA)
where:
Base-Base interactions energy: -24.685
where: short stacking energy: -16.376
Base-Backbone interact. energy: -0.056
local terms energy: -56.740594
where:
bonds (distance) C4'-P energy: -17.076
bonds (distance) P-C4' energy: -18.352
flat angles C4'-P-C4' energy: -14.951
flat angles P-C4'-P energy: -5.448
tors. eta vs tors. theta energy: -0.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -77.469739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.469739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.469739 (E_RNA)
where:
Base-Base interactions energy: -33.109
where: short stacking energy: -26.680
Base-Backbone interact. energy: -0.051
local terms energy: -44.309903
where:
bonds (distance) C4'-P energy: -9.672
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -8.286
tors. eta vs tors. theta energy: 0.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -83.198529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.198529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.198529 (E_RNA)
where:
Base-Base interactions energy: -31.736
where: short stacking energy: -25.574
Base-Backbone interact. energy: -0.316
local terms energy: -51.145964
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -10.856
flat angles P-C4'-P energy: -8.718
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: 3
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -224.988350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.988350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.988350 (E_RNA)
where:
Base-Base interactions energy: -147.660
where: short stacking energy: -73.655
Base-Backbone interact. energy: -0.007
local terms energy: -77.321065
where:
bonds (distance) C4'-P energy: -14.188
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -11.262
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: -23.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -228.453186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.453186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.453186 (E_RNA)
where:
Base-Base interactions energy: -153.228
where: short stacking energy: -71.210
Base-Backbone interact. energy: 0.191
local terms energy: -75.415823
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -19.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -215.597784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.597784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.597784 (E_RNA)
where:
Base-Base interactions energy: -149.565
where: short stacking energy: -57.970
Base-Backbone interact. energy: -0.068
local terms energy: -65.964953
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -11.657
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -7.576
tors. eta vs tors. theta energy: -15.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -217.862181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.862181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.862181 (E_RNA)
where:
Base-Base interactions energy: -143.629
where: short stacking energy: -66.150
Base-Backbone interact. energy: -0.524
local terms energy: -73.709073
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -14.192
tors. eta vs tors. theta energy: -16.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -193.652127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.652127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.652127 (E_RNA)
where:
Base-Base interactions energy: -125.174
where: short stacking energy: -51.696
Base-Backbone interact. energy: -0.182
local terms energy: -68.296217
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -11.006
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -13.400
tors. eta vs tors. theta energy: -11.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -208.900643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.900643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.900643 (E_RNA)
where:
Base-Base interactions energy: -140.677
where: short stacking energy: -69.266
Base-Backbone interact. energy: -0.003
local terms energy: -68.220374
where:
bonds (distance) C4'-P energy: -8.389
bonds (distance) P-C4' energy: -15.317
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: -20.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -160.938142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.938142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.938142 (E_RNA)
where:
Base-Base interactions energy: -91.783
where: short stacking energy: -52.045
Base-Backbone interact. energy: -1.041
local terms energy: -68.114006
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -12.607
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: 5
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -85.991719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.991719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.991719 (E_RNA)
where:
Base-Base interactions energy: -30.571
where: short stacking energy: -30.571
Base-Backbone interact. energy: -0.173
local terms energy: -55.247353
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -4.810
tors. eta vs tors. theta energy: -3.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -86.776447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.776447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.776447 (E_RNA)
where:
Base-Base interactions energy: -39.110
where: short stacking energy: -31.700
Base-Backbone interact. energy: -0.001
local terms energy: -47.666101
where:
bonds (distance) C4'-P energy: -9.569
bonds (distance) P-C4' energy: -10.320
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -6.023
tors. eta vs tors. theta energy: -6.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -81.390607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.390607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.390607 (E_RNA)
where:
Base-Base interactions energy: -35.624
where: short stacking energy: -23.617
Base-Backbone interact. energy: 0.509
local terms energy: -46.275740
where:
bonds (distance) C4'-P energy: -10.791
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -0.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -235.843981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.843981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.843981 (E_RNA)
where:
Base-Base interactions energy: -152.474
where: short stacking energy: -77.784
Base-Backbone interact. energy: -0.009
local terms energy: -83.361302
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -13.456
tors. eta vs tors. theta energy: -22.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -230.519843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.519843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.519843 (E_RNA)
where:
Base-Base interactions energy: -149.538
where: short stacking energy: -75.117
Base-Backbone interact. energy: -0.345
local terms energy: -80.637034
where:
bonds (distance) C4'-P energy: -16.702
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -12.491
tors. eta vs tors. theta energy: -19.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -220.718426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.718426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.718426 (E_RNA)
where:
Base-Base interactions energy: -145.664
where: short stacking energy: -74.846
Base-Backbone interact. energy: -0.001
local terms energy: -75.053982
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -23.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -207.330783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.330783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.330783 (E_RNA)
where:
Base-Base interactions energy: -143.334
where: short stacking energy: -64.850
Base-Backbone interact. energy: -0.016
local terms energy: -63.981266
where:
bonds (distance) C4'-P energy: -7.500
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -6.549
tors. eta vs tors. theta energy: -18.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -209.313055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.313055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.313055 (E_RNA)
where:
Base-Base interactions energy: -138.602
where: short stacking energy: -73.207
Base-Backbone interact. energy: -0.051
local terms energy: -70.660074
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -7.522
tors. eta vs tors. theta energy: -20.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -193.944302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.944302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.944302 (E_RNA)
where:
Base-Base interactions energy: -133.171
where: short stacking energy: -66.052
Base-Backbone interact. energy: 1.072
local terms energy: -61.845312
where:
bonds (distance) C4'-P energy: -10.274
bonds (distance) P-C4' energy: -9.932
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -17.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -162.486523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.486523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.486523 (E_RNA)
where:
Base-Base interactions energy: -103.653
where: short stacking energy: -45.583
Base-Backbone interact. energy: -0.119
local terms energy: -58.714224
where:
bonds (distance) C4'-P energy: -11.527
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -7.434
tors. eta vs tors. theta energy: -10.030
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: 5
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -97.090022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.090022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.090022 (E_RNA)
where:
Base-Base interactions energy: -35.468
where: short stacking energy: -35.013
Base-Backbone interact. energy: -0.101
local terms energy: -61.521665
where:
bonds (distance) C4'-P energy: -10.293
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -12.363
tors. eta vs tors. theta energy: -7.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -88.714046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.714046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.714046 (E_RNA)
where:
Base-Base interactions energy: -44.584
where: short stacking energy: -24.296
Base-Backbone interact. energy: -0.042
local terms energy: -44.087911
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -8.136
flat angles P-C4'-P energy: -5.807
tors. eta vs tors. theta energy: -2.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -73.006810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.006810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.006810 (E_RNA)
where:
Base-Base interactions energy: -34.271
where: short stacking energy: -17.920
Base-Backbone interact. energy: -0.337
local terms energy: -38.399402
where:
bonds (distance) C4'-P energy: -7.615
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -10.205
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: 5.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -231.668424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.668424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.668424 (E_RNA)
where:
Base-Base interactions energy: -157.666
where: short stacking energy: -72.111
Base-Backbone interact. energy: -0.596
local terms energy: -73.406759
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -16.567
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -20.422
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: 2, replica: 10
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -227.704175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.704175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.704175 (E_RNA)
where:
Base-Base interactions energy: -151.600
where: short stacking energy: -66.836
Base-Backbone interact. energy: -0.012
local terms energy: -76.092384
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -16.861
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -19.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -231.046225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.046225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.046225 (E_RNA)
where:
Base-Base interactions energy: -151.216
where: short stacking energy: -72.478
Base-Backbone interact. energy: -0.500
local terms energy: -79.330229
where:
bonds (distance) C4'-P energy: -12.283
bonds (distance) P-C4' energy: -14.643
flat angles C4'-P-C4' energy: -19.242
flat angles P-C4'-P energy: -11.907
tors. eta vs tors. theta energy: -21.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -219.830440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.830440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.830440 (E_RNA)
where:
Base-Base interactions energy: -141.432
where: short stacking energy: -67.428
Base-Backbone interact. energy: -0.486
local terms energy: -77.912334
where:
bonds (distance) C4'-P energy: -13.384
bonds (distance) P-C4' energy: -12.340
flat angles C4'-P-C4' energy: -18.801
flat angles P-C4'-P energy: -12.689
tors. eta vs tors. theta energy: -20.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -220.005163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.005163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.005163 (E_RNA)
where:
Base-Base interactions energy: -142.522
where: short stacking energy: -68.649
Base-Backbone interact. energy: -0.001
local terms energy: -77.481604
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -21.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -162.365029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.365029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.365029 (E_RNA)
where:
Base-Base interactions energy: -90.244
where: short stacking energy: -54.900
Base-Backbone interact. energy: -0.001
local terms energy: -72.119981
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -17.682
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -11.421
tors. eta vs tors. theta energy: -12.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -203.689924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.689924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.689924 (E_RNA)
where:
Base-Base interactions energy: -134.376
where: short stacking energy: -69.708
Base-Backbone interact. energy: -0.003
local terms energy: -69.311383
where:
bonds (distance) C4'-P energy: -12.040
bonds (distance) P-C4' energy: -13.020
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -21.428
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: 8, replica: 5
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -90.919602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.919602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.919602 (E_RNA)
where:
Base-Base interactions energy: -36.192
where: short stacking energy: -36.192
Base-Backbone interact. energy: -0.071
local terms energy: -54.656456
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -8.460
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -8.366
tors. eta vs tors. theta energy: -9.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -101.761461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.761461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.761461 (E_RNA)
where:
Base-Base interactions energy: -56.981
where: short stacking energy: -29.864
Base-Backbone interact. energy: -0.185
local terms energy: -44.595212
where:
bonds (distance) C4'-P energy: -9.639
bonds (distance) P-C4' energy: -11.069
flat angles C4'-P-C4' energy: -10.280
flat angles P-C4'-P energy: -8.480
tors. eta vs tors. theta energy: -5.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -74.192318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.192318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.192318 (E_RNA)
where:
Base-Base interactions energy: -25.321
where: short stacking energy: -21.877
Base-Backbone interact. energy: -0.482
local terms energy: -48.389882
where:
bonds (distance) C4'-P energy: -16.952
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -12.035
flat angles P-C4'-P energy: -6.269
tors. eta vs tors. theta energy: -0.264
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: 1, replica: 10
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -231.304853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.304853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.304853 (E_RNA)
where:
Base-Base interactions energy: -153.589
where: short stacking energy: -71.670
Base-Backbone interact. energy: -0.227
local terms energy: -77.488248
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -18.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -228.906623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.906623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.906623 (E_RNA)
where:
Base-Base interactions energy: -155.323
where: short stacking energy: -72.528
Base-Backbone interact. energy: -0.001
local terms energy: -73.582564
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -15.530
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -20.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -217.498746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.498746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.498746 (E_RNA)
where:
Base-Base interactions energy: -142.542
where: short stacking energy: -71.906
Base-Backbone interact. energy: -0.089
local terms energy: -74.867752
where:
bonds (distance) C4'-P energy: -11.723
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -20.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -219.240859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.240859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.240859 (E_RNA)
where:
Base-Base interactions energy: -137.753
where: short stacking energy: -74.199
Base-Backbone interact. energy: -0.032
local terms energy: -81.455015
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -12.440
tors. eta vs tors. theta energy: -23.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -208.250631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.250631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.250631 (E_RNA)
where:
Base-Base interactions energy: -135.165
where: short stacking energy: -57.308
Base-Backbone interact. energy: -0.016
local terms energy: -73.069991
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -12.488
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -15.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -172.223114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.223114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.223114 (E_RNA)
where:
Base-Base interactions energy: -109.943
where: short stacking energy: -56.710
Base-Backbone interact. energy: -0.168
local terms energy: -62.111370
where:
bonds (distance) C4'-P energy: -10.825
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -12.215
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: -14.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -201.977535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.977535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.977535 (E_RNA)
where:
Base-Base interactions energy: -127.759
where: short stacking energy: -62.982
Base-Backbone interact. energy: -0.352
local terms energy: -73.866484
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -16.155
flat angles C4'-P-C4' energy: -16.470
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -18.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -86.045401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.045401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.045401 (E_RNA)
where:
Base-Base interactions energy: -30.703
where: short stacking energy: -29.574
Base-Backbone interact. energy: 1.032
local terms energy: -56.374430
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: -3.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -74.267981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.267981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.267981 (E_RNA)
where:
Base-Base interactions energy: -16.579
where: short stacking energy: -16.579
Base-Backbone interact. energy: -0.471
local terms energy: -57.218039
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: 1.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -95.262390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.262390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.262390 (E_RNA)
where:
Base-Base interactions energy: -53.932
where: short stacking energy: -31.913
Base-Backbone interact. energy: 0.337
local terms energy: -41.667071
where:
bonds (distance) C4'-P energy: -7.466
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -10.448
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: 0.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -231.325346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.325346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.325346 (E_RNA)
where:
Base-Base interactions energy: -150.272
where: short stacking energy: -72.003
Base-Backbone interact. energy: -0.001
local terms energy: -81.052846
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -22.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -229.139467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.139467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.139467 (E_RNA)
where:
Base-Base interactions energy: -147.075
where: short stacking energy: -74.186
Base-Backbone interact. energy: -0.776
local terms energy: -81.289059
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: -21.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -215.864806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.864806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.864806 (E_RNA)
where:
Base-Base interactions energy: -141.398
where: short stacking energy: -72.865
Base-Backbone interact. energy: -0.071
local terms energy: -74.395760
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -13.714
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -7.773
tors. eta vs tors. theta energy: -21.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -215.016121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.016121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.016121 (E_RNA)
where:
Base-Base interactions energy: -138.787
where: short stacking energy: -66.906
Base-Backbone interact. energy: -0.774
local terms energy: -75.455114
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -22.097
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: 2
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -210.956018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.956018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.956018 (E_RNA)
where:
Base-Base interactions energy: -134.750
where: short stacking energy: -66.119
Base-Backbone interact. energy: -0.820
local terms energy: -75.386444
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: -17.652
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: 7
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -209.090857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.090857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.090857 (E_RNA)
where:
Base-Base interactions energy: -134.899
where: short stacking energy: -65.988
Base-Backbone interact. energy: 0.741
local terms energy: -74.933035
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -12.495
tors. eta vs tors. theta energy: -19.719
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: 9
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -174.704778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.704778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.704778 (E_RNA)
where:
Base-Base interactions energy: -112.853
where: short stacking energy: -39.047
Base-Backbone interact. energy: -0.469
local terms energy: -61.383007
where:
bonds (distance) C4'-P energy: -16.533
bonds (distance) P-C4' energy: -13.571
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -8.250
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: 1
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -99.554655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.554655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.554655 (E_RNA)
where:
Base-Base interactions energy: -51.956
where: short stacking energy: -28.874
Base-Backbone interact. energy: 0.511
local terms energy: -48.110287
where:
bonds (distance) C4'-P energy: -8.907
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -9.222
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: -5.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -83.593080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.593080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.593080 (E_RNA)
where:
Base-Base interactions energy: -27.336
where: short stacking energy: -26.468
Base-Backbone interact. energy: -0.579
local terms energy: -55.677997
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -4.895
tors. eta vs tors. theta energy: -7.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -76.707110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.707110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.707110 (E_RNA)
where:
Base-Base interactions energy: -35.435
where: short stacking energy: -22.212
Base-Backbone interact. energy: -0.659
local terms energy: -40.613260
where:
bonds (distance) C4'-P energy: -8.920
bonds (distance) P-C4' energy: -13.127
flat angles C4'-P-C4' energy: -11.659
flat angles P-C4'-P energy: -8.214
tors. eta vs tors. theta energy: 1.306
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: 6
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -226.977577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.977577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.977577 (E_RNA)
where:
Base-Base interactions energy: -149.741
where: short stacking energy: -69.704
Base-Backbone interact. energy: -0.034
local terms energy: -77.202531
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -15.310
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -20.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -230.976821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.976821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.976821 (E_RNA)
where:
Base-Base interactions energy: -151.199
where: short stacking energy: -70.828
Base-Backbone interact. energy: -0.008
local terms energy: -79.770162
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -12.924
tors. eta vs tors. theta energy: -20.174
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: 8
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -212.433653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.433653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.433653 (E_RNA)
where:
Base-Base interactions energy: -140.116
where: short stacking energy: -64.812
Base-Backbone interact. energy: -0.106
local terms energy: -72.211575
where:
bonds (distance) C4'-P energy: -17.869
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -16.483
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: 3
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -213.340521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.340521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.340521 (E_RNA)
where:
Base-Base interactions energy: -139.974
where: short stacking energy: -61.271
Base-Backbone interact. energy: -1.297
local terms energy: -72.070218
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -16.020
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: 2
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -206.255909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.255909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.255909 (E_RNA)
where:
Base-Base interactions energy: -137.492
where: short stacking energy: -73.825
Base-Backbone interact. energy: -0.020
local terms energy: -68.743900
where:
bonds (distance) C4'-P energy: -10.605
bonds (distance) P-C4' energy: -13.833
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: -19.027
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: 7
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -195.633835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.633835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.633835 (E_RNA)
where:
Base-Base interactions energy: -129.876
where: short stacking energy: -61.448
Base-Backbone interact. energy: -0.015
local terms energy: -65.742437
where:
bonds (distance) C4'-P energy: -14.713
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -7.276
tors. eta vs tors. theta energy: -12.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -164.398031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.398031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.398031 (E_RNA)
where:
Base-Base interactions energy: -104.068
where: short stacking energy: -40.718
Base-Backbone interact. energy: -0.610
local terms energy: -59.720103
where:
bonds (distance) C4'-P energy: -10.227
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -11.740
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -12.098
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: 1
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -93.200569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.200569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.200569 (E_RNA)
where:
Base-Base interactions energy: -43.705
where: short stacking energy: -17.937
Base-Backbone interact. energy: -0.266
local terms energy: -49.229680
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -15.698
flat angles C4'-P-C4' energy: -6.807
flat angles P-C4'-P energy: -10.482
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: 9, replica: 5
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -86.311955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.311955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.311955 (E_RNA)
where:
Base-Base interactions energy: -38.444
where: short stacking energy: -36.042
Base-Backbone interact. energy: -0.105
local terms energy: -47.763214
where:
bonds (distance) C4'-P energy: -10.149
bonds (distance) P-C4' energy: -8.825
flat angles C4'-P-C4' energy: -8.651
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -10.776
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: 4
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -82.158471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.158471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.158471 (E_RNA)
where:
Base-Base interactions energy: -36.943
where: short stacking energy: -35.704
Base-Backbone interact. energy: -0.144
local terms energy: -45.071122
where:
bonds (distance) C4'-P energy: -11.711
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -11.714
flat angles P-C4'-P energy: -4.749
tors. eta vs tors. theta energy: -1.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -238.178530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.178530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.178530 (E_RNA)
where:
Base-Base interactions energy: -156.005
where: short stacking energy: -74.347
Base-Backbone interact. energy: -1.165
local terms energy: -81.008534
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -18.676
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -20.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -228.339372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.339372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.339372 (E_RNA)
where:
Base-Base interactions energy: -147.745
where: short stacking energy: -74.131
Base-Backbone interact. energy: -0.290
local terms energy: -80.304630
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -16.824
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: -18.555
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: 3, replica: 8
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -215.912784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.912784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.912784 (E_RNA)
where:
Base-Base interactions energy: -144.608
where: short stacking energy: -68.815
Base-Backbone interact. energy: -0.099
local terms energy: -71.205509
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -2.466
tors. eta vs tors. theta energy: -19.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -214.275630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.275630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.275630 (E_RNA)
where:
Base-Base interactions energy: -142.302
where: short stacking energy: -64.789
Base-Backbone interact. energy: -0.657
local terms energy: -71.316455
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -13.122
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -17.236
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: 5, replica: 3
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -217.986527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.986527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.986527 (E_RNA)
where:
Base-Base interactions energy: -148.451
where: short stacking energy: -65.160
Base-Backbone interact. energy: -0.315
local terms energy: -69.220909
where:
bonds (distance) C4'-P energy: -10.409
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -15.932
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: 9
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -174.757452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.757452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.757452 (E_RNA)
where:
Base-Base interactions energy: -112.792
where: short stacking energy: -52.779
Base-Backbone interact. energy: -0.236
local terms energy: -61.729590
where:
bonds (distance) C4'-P energy: -12.428
bonds (distance) P-C4' energy: -11.848
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -13.424
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: 289
Temperature: 1.200000
Total energy: -187.369471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.369471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.369471 (E_RNA)
where:
Base-Base interactions energy: -131.118
where: short stacking energy: -56.537
Base-Backbone interact. energy: -0.155
local terms energy: -56.096575
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -13.442
flat angles C4'-P-C4' energy: -11.415
flat angles P-C4'-P energy: -5.268
tors. eta vs tors. theta energy: -13.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -93.627460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.627460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.627460 (E_RNA)
where:
Base-Base interactions energy: -36.773
where: short stacking energy: -36.773
Base-Backbone interact. energy: -0.200
local terms energy: -56.654495
where:
bonds (distance) C4'-P energy: -10.005
bonds (distance) P-C4' energy: -16.715
flat angles C4'-P-C4' energy: -12.576
flat angles P-C4'-P energy: -11.344
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: 9, replica: 1
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -78.999434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.999434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.999434 (E_RNA)
where:
Base-Base interactions energy: -30.528
where: short stacking energy: -25.942
Base-Backbone interact. energy: -0.143
local terms energy: -48.329023
where:
bonds (distance) C4'-P energy: -9.879
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: 0.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -81.643803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.643803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.643803 (E_RNA)
where:
Base-Base interactions energy: -28.933
where: short stacking energy: -27.731
Base-Backbone interact. energy: -0.015
local terms energy: -52.696040
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -11.053
flat angles C4'-P-C4' energy: -11.789
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: -6.003
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: 1, replica: 10
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -224.056723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.056723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.056723 (E_RNA)
where:
Base-Base interactions energy: -146.859
where: short stacking energy: -74.152
Base-Backbone interact. energy: -0.220
local terms energy: -76.978274
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -20.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -222.950468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.950468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.950468 (E_RNA)
where:
Base-Base interactions energy: -148.057
where: short stacking energy: -67.706
Base-Backbone interact. energy: -0.042
local terms energy: -74.852086
where:
bonds (distance) C4'-P energy: -12.167
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -12.466
tors. eta vs tors. theta energy: -20.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -226.559946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.559946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.559946 (E_RNA)
where:
Base-Base interactions energy: -150.799
where: short stacking energy: -74.143
Base-Backbone interact. energy: -0.043
local terms energy: -75.717913
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -15.550
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: -21.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -213.645554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.645554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.645554 (E_RNA)
where:
Base-Base interactions energy: -138.978
where: short stacking energy: -71.100
Base-Backbone interact. energy: -0.222
local terms energy: -74.445015
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -13.401
flat angles C4'-P-C4' energy: -16.810
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -17.195
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: 290
Temperature: 1.100000
Total energy: -204.033866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.033866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.033866 (E_RNA)
where:
Base-Base interactions energy: -135.054
where: short stacking energy: -57.844
Base-Backbone interact. energy: -0.091
local terms energy: -68.889203
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -8.858
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -16.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -181.573528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.573528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.573528 (E_RNA)
where:
Base-Base interactions energy: -114.916
where: short stacking energy: -58.622
Base-Backbone interact. energy: -0.092
local terms energy: -66.565275
where:
bonds (distance) C4'-P energy: -12.992
bonds (distance) P-C4' energy: -11.243
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -19.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -185.199557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.199557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.199557 (E_RNA)
where:
Base-Base interactions energy: -124.498
where: short stacking energy: -56.400
Base-Backbone interact. energy: -0.339
local terms energy: -60.362866
where:
bonds (distance) C4'-P energy: -12.971
bonds (distance) P-C4' energy: -8.133
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -12.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -94.203873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.203873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.203873 (E_RNA)
where:
Base-Base interactions energy: -41.657
where: short stacking energy: -41.015
Base-Backbone interact. energy: -0.009
local terms energy: -52.537957
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -8.501
flat angles P-C4'-P energy: -6.862
tors. eta vs tors. theta energy: -9.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -76.848854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.848854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.848854 (E_RNA)
where:
Base-Base interactions energy: -32.591
where: short stacking energy: -19.897
Base-Backbone interact. energy: -0.261
local terms energy: -43.996009
where:
bonds (distance) C4'-P energy: -11.665
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -10.274
flat angles P-C4'-P energy: -4.320
tors. eta vs tors. theta energy: -1.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -87.013752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.013752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.013752 (E_RNA)
where:
Base-Base interactions energy: -41.572
where: short stacking energy: -33.426
Base-Backbone interact. energy: -0.047
local terms energy: -45.394511
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -8.559
flat angles C4'-P-C4' energy: -12.052
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -4.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -230.482189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.482189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.482189 (E_RNA)
where:
Base-Base interactions energy: -147.265
where: short stacking energy: -68.889
Base-Backbone interact. energy: -0.342
local terms energy: -82.875525
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -17.202
flat angles P-C4'-P energy: -13.090
tors. eta vs tors. theta energy: -21.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -220.670949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.670949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.670949 (E_RNA)
where:
Base-Base interactions energy: -148.398
where: short stacking energy: -74.118
Base-Backbone interact. energy: -0.031
local terms energy: -72.241948
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: -19.654
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: 6
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -226.438771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.438771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.438771 (E_RNA)
where:
Base-Base interactions energy: -151.836
where: short stacking energy: -74.784
Base-Backbone interact. energy: -0.575
local terms energy: -74.027726
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -11.152
tors. eta vs tors. theta energy: -21.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -215.270778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.270778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.270778 (E_RNA)
where:
Base-Base interactions energy: -140.594
where: short stacking energy: -63.209
Base-Backbone interact. energy: -0.103
local terms energy: -74.573052
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -18.239
flat angles P-C4'-P energy: -13.070
tors. eta vs tors. theta energy: -16.496
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: 8
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -210.082290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.082290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.082290 (E_RNA)
where:
Base-Base interactions energy: -133.905
where: short stacking energy: -70.697
Base-Backbone interact. energy: -0.704
local terms energy: -75.473184
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -17.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -188.455934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.455934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.455934 (E_RNA)
where:
Base-Base interactions energy: -125.094
where: short stacking energy: -59.970
Base-Backbone interact. energy: -0.155
local terms energy: -63.207288
where:
bonds (distance) C4'-P energy: -8.128
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -11.113
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -14.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -181.956999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.956999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.956999 (E_RNA)
where:
Base-Base interactions energy: -119.988
where: short stacking energy: -55.695
Base-Backbone interact. energy: -0.008
local terms energy: -61.961122
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -6.901
tors. eta vs tors. theta energy: -11.541
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: 4
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -95.126606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.126606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.126606 (E_RNA)
where:
Base-Base interactions energy: -46.967
where: short stacking energy: -27.112
Base-Backbone interact. energy: -1.848
local terms energy: -46.311267
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -8.753
flat angles P-C4'-P energy: -4.622
tors. eta vs tors. theta energy: -1.573
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: 5
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -89.608808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.608808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.608808 (E_RNA)
where:
Base-Base interactions energy: -36.837
where: short stacking energy: -36.837
Base-Backbone interact. energy: 0.115
local terms energy: -52.886271
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -11.165
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -6.052
tors. eta vs tors. theta energy: -7.089
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: 1
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -83.896692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.896692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.896692 (E_RNA)
where:
Base-Base interactions energy: -34.781
where: short stacking energy: -26.012
Base-Backbone interact. energy: 0.564
local terms energy: -49.679434
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -9.823
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -2.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -215.771064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.771064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.771064 (E_RNA)
where:
Base-Base interactions energy: -147.464
where: short stacking energy: -64.000
Base-Backbone interact. energy: -0.076
local terms energy: -68.230670
where:
bonds (distance) C4'-P energy: -13.692
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -12.987
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -16.969
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: 10
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -229.895888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.895888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.895888 (E_RNA)
where:
Base-Base interactions energy: -151.147
where: short stacking energy: -76.562
Base-Backbone interact. energy: -1.124
local terms energy: -77.624103
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -13.588
flat angles C4'-P-C4' energy: -16.952
flat angles P-C4'-P energy: -13.455
tors. eta vs tors. theta energy: -22.794
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: 6
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -226.118833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.118833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.118833 (E_RNA)
where:
Base-Base interactions energy: -150.266
where: short stacking energy: -74.001
Base-Backbone interact. energy: -0.293
local terms energy: -75.559070
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -14.302
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -22.469
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: 3
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -212.705199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.705199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.705199 (E_RNA)
where:
Base-Base interactions energy: -141.018
where: short stacking energy: -70.850
Base-Backbone interact. energy: -0.042
local terms energy: -71.645155
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -13.441
flat angles C4'-P-C4' energy: -17.286
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -15.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -203.701930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.701930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.701930 (E_RNA)
where:
Base-Base interactions energy: -139.644
where: short stacking energy: -69.902
Base-Backbone interact. energy: -0.281
local terms energy: -63.776164
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -9.933
flat angles C4'-P-C4' energy: -17.465
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -13.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -197.888655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.888655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.888655 (E_RNA)
where:
Base-Base interactions energy: -133.381
where: short stacking energy: -61.018
Base-Backbone interact. energy: -0.028
local terms energy: -64.480372
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -12.182
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -5.709
tors. eta vs tors. theta energy: -18.038
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: 9
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -161.903262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.903262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.903262 (E_RNA)
where:
Base-Base interactions energy: -106.261
where: short stacking energy: -43.253
Base-Backbone interact. energy: -0.016
local terms energy: -55.626337
where:
bonds (distance) C4'-P energy: -11.729
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -11.122
flat angles P-C4'-P energy: -6.848
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: 8, replica: 4
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -86.757997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.757997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.757997 (E_RNA)
where:
Base-Base interactions energy: -34.976
where: short stacking energy: -31.436
Base-Backbone interact. energy: -0.186
local terms energy: -51.595553
where:
bonds (distance) C4'-P energy: -11.491
bonds (distance) P-C4' energy: -15.673
flat angles C4'-P-C4' energy: -15.141
flat angles P-C4'-P energy: -4.435
tors. eta vs tors. theta energy: -4.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -79.574034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.574034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.574034 (E_RNA)
where:
Base-Base interactions energy: -29.960
where: short stacking energy: -19.814
Base-Backbone interact. energy: -0.113
local terms energy: -49.500974
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -13.277
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -1.107
tors. eta vs tors. theta energy: -4.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -80.053563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.053563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.053563 (E_RNA)
where:
Base-Base interactions energy: -37.313
where: short stacking energy: -37.301
Base-Backbone interact. energy: -0.031
local terms energy: -42.709999
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -9.769
flat angles C4'-P-C4' energy: -9.915
flat angles P-C4'-P energy: -7.407
tors. eta vs tors. theta energy: -4.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -229.779915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.779915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.779915 (E_RNA)
where:
Base-Base interactions energy: -153.330
where: short stacking energy: -67.497
Base-Backbone interact. energy: -0.006
local terms energy: -76.444322
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -18.357
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -19.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -222.548040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.548040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.548040 (E_RNA)
where:
Base-Base interactions energy: -146.587
where: short stacking energy: -68.521
Base-Backbone interact. energy: 0.513
local terms energy: -76.473446
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -21.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -215.206456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.206456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.206456 (E_RNA)
where:
Base-Base interactions energy: -147.769
where: short stacking energy: -77.763
Base-Backbone interact. energy: -0.001
local terms energy: -67.436290
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -12.072
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -20.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -217.331259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.331259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.331259 (E_RNA)
where:
Base-Base interactions energy: -138.123
where: short stacking energy: -73.923
Base-Backbone interact. energy: -0.088
local terms energy: -79.119818
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -20.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -211.909023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.909023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.909023 (E_RNA)
where:
Base-Base interactions energy: -146.476
where: short stacking energy: -63.669
Base-Backbone interact. energy: -0.344
local terms energy: -65.088438
where:
bonds (distance) C4'-P energy: -8.066
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -7.282
tors. eta vs tors. theta energy: -17.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -156.168557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.168557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.168557 (E_RNA)
where:
Base-Base interactions energy: -96.037
where: short stacking energy: -53.245
Base-Backbone interact. energy: -0.064
local terms energy: -60.067371
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -11.399
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -12.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -200.931404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.931404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.931404 (E_RNA)
where:
Base-Base interactions energy: -133.727
where: short stacking energy: -59.922
Base-Backbone interact. energy: -0.000
local terms energy: -67.204381
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -17.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -87.264529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.264529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.264529 (E_RNA)
where:
Base-Base interactions energy: -29.397
where: short stacking energy: -29.038
Base-Backbone interact. energy: -0.841
local terms energy: -57.026003
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -2.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -81.838233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.838233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.838233 (E_RNA)
where:
Base-Base interactions energy: -37.883
where: short stacking energy: -30.448
Base-Backbone interact. energy: -0.146
local terms energy: -43.808612
where:
bonds (distance) C4'-P energy: -7.109
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: -0.426
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: 10, replica: 5
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -80.654240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.654240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.654240 (E_RNA)
where:
Base-Base interactions energy: -30.448
where: short stacking energy: -30.448
Base-Backbone interact. energy: -0.049
local terms energy: -50.156872
where:
bonds (distance) C4'-P energy: -5.900
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -6.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -229.990625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.990625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.990625 (E_RNA)
where:
Base-Base interactions energy: -155.899
where: short stacking energy: -76.376
Base-Backbone interact. energy: -1.097
local terms energy: -72.994794
where:
bonds (distance) C4'-P energy: -11.104
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -15.948
flat angles P-C4'-P energy: -10.429
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: 2, replica: 2
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -232.064786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.064786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.064786 (E_RNA)
where:
Base-Base interactions energy: -158.041
where: short stacking energy: -73.359
Base-Backbone interact. energy: -0.009
local terms energy: -74.014653
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -17.409
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -20.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -221.742958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.742958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.742958 (E_RNA)
where:
Base-Base interactions energy: -145.530
where: short stacking energy: -65.920
Base-Backbone interact. energy: -0.288
local terms energy: -75.925589
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -14.348
flat angles C4'-P-C4' energy: -13.149
flat angles P-C4'-P energy: -13.087
tors. eta vs tors. theta energy: -22.251
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: 3
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -220.412741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.412741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.412741 (E_RNA)
where:
Base-Base interactions energy: -144.702
where: short stacking energy: -79.016
Base-Backbone interact. energy: -0.414
local terms energy: -75.295811
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -16.722
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: -21.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -217.893627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.893627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.893627 (E_RNA)
where:
Base-Base interactions energy: -143.108
where: short stacking energy: -69.697
Base-Backbone interact. energy: -0.000
local terms energy: -74.785458
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -18.830
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: 9
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -157.348159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.348159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.348159 (E_RNA)
where:
Base-Base interactions energy: -98.197
where: short stacking energy: -62.309
Base-Backbone interact. energy: -0.074
local terms energy: -59.077481
where:
bonds (distance) C4'-P energy: -10.728
bonds (distance) P-C4' energy: -15.597
flat angles C4'-P-C4' energy: -10.977
flat angles P-C4'-P energy: -9.541
tors. eta vs tors. theta energy: -12.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -193.128839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.128839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.128839 (E_RNA)
where:
Base-Base interactions energy: -129.538
where: short stacking energy: -63.195
Base-Backbone interact. energy: 0.989
local terms energy: -64.580076
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -9.906
tors. eta vs tors. theta energy: -13.096
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: 1
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -82.902906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.902906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.902906 (E_RNA)
where:
Base-Base interactions energy: -25.891
where: short stacking energy: -16.698
Base-Backbone interact. energy: -0.363
local terms energy: -56.648857
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: 2.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -74.944641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.944641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.944641 (E_RNA)
where:
Base-Base interactions energy: -30.688
where: short stacking energy: -20.108
Base-Backbone interact. energy: -0.270
local terms energy: -43.986978
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -14.093
flat angles C4'-P-C4' energy: -7.955
flat angles P-C4'-P energy: -7.298
tors. eta vs tors. theta energy: -0.152
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: 4
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -87.322516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.322516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.322516 (E_RNA)
where:
Base-Base interactions energy: -43.095
where: short stacking energy: -23.419
Base-Backbone interact. energy: -0.004
local terms energy: -44.223222
where:
bonds (distance) C4'-P energy: -13.972
bonds (distance) P-C4' energy: -12.821
flat angles C4'-P-C4' energy: -10.543
flat angles P-C4'-P energy: -1.896
tors. eta vs tors. theta energy: -4.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -230.650879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.650879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.650879 (E_RNA)
where:
Base-Base interactions energy: -150.773
where: short stacking energy: -76.358
Base-Backbone interact. energy: -0.156
local terms energy: -79.721888
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -22.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -222.683422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.683422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.683422 (E_RNA)
where:
Base-Base interactions energy: -147.400
where: short stacking energy: -67.471
Base-Backbone interact. energy: -0.008
local terms energy: -75.275476
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -12.716
tors. eta vs tors. theta energy: -17.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -218.561986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.561986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.561986 (E_RNA)
where:
Base-Base interactions energy: -142.272
where: short stacking energy: -64.267
Base-Backbone interact. energy: -0.002
local terms energy: -76.287485
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -17.327
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -18.267
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: 4, replica: 8
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -217.190033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.190033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.190033 (E_RNA)
where:
Base-Base interactions energy: -144.972
where: short stacking energy: -73.008
Base-Backbone interact. energy: -0.011
local terms energy: -72.207003
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -10.281
tors. eta vs tors. theta energy: -19.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -211.762431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.762431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.762431 (E_RNA)
where:
Base-Base interactions energy: -139.390
where: short stacking energy: -69.767
Base-Backbone interact. energy: -0.002
local terms energy: -72.370533
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -16.966
flat angles P-C4'-P energy: -6.625
tors. eta vs tors. theta energy: -22.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -192.091177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.091177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.091177 (E_RNA)
where:
Base-Base interactions energy: -124.113
where: short stacking energy: -58.969
Base-Backbone interact. energy: -0.136
local terms energy: -67.842318
where:
bonds (distance) C4'-P energy: -11.117
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -14.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -144.896934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.896934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.896934 (E_RNA)
where:
Base-Base interactions energy: -91.562
where: short stacking energy: -44.663
Base-Backbone interact. energy: -0.936
local terms energy: -52.399083
where:
bonds (distance) C4'-P energy: -8.120
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -14.907
flat angles P-C4'-P energy: -5.342
tors. eta vs tors. theta energy: -9.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -98.537102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.537102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.537102 (E_RNA)
where:
Base-Base interactions energy: -51.405
where: short stacking energy: -19.018
Base-Backbone interact. energy: -0.106
local terms energy: -47.025794
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -8.934
flat angles P-C4'-P energy: -7.393
tors. eta vs tors. theta energy: -2.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -76.909670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.909670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.909670 (E_RNA)
where:
Base-Base interactions energy: -31.008
where: short stacking energy: -31.008
Base-Backbone interact. energy: -0.227
local terms energy: -45.675411
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -13.054
flat angles C4'-P-C4' energy: -8.960
flat angles P-C4'-P energy: -1.312
tors. eta vs tors. theta energy: -7.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -82.548896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.548896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.548896 (E_RNA)
where:
Base-Base interactions energy: -40.978
where: short stacking energy: -19.335
Base-Backbone interact. energy: -0.126
local terms energy: -41.445236
where:
bonds (distance) C4'-P energy: -5.203
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -11.396
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -0.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -232.649510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.649510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.649510 (E_RNA)
where:
Base-Base interactions energy: -153.738
where: short stacking energy: -75.901
Base-Backbone interact. energy: -0.002
local terms energy: -78.909793
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -13.687
tors. eta vs tors. theta energy: -18.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -226.635371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.635371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.635371 (E_RNA)
where:
Base-Base interactions energy: -146.290
where: short stacking energy: -68.300
Base-Backbone interact. energy: -0.007
local terms energy: -80.337867
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -21.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -222.473147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.473147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.473147 (E_RNA)
where:
Base-Base interactions energy: -147.081
where: short stacking energy: -70.006
Base-Backbone interact. energy: -0.970
local terms energy: -74.422107
where:
bonds (distance) C4'-P energy: -11.283
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -17.859
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -18.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -218.012629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.012629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.012629 (E_RNA)
where:
Base-Base interactions energy: -152.593
where: short stacking energy: -71.609
Base-Backbone interact. energy: 1.126
local terms energy: -66.545329
where:
bonds (distance) C4'-P energy: -10.692
bonds (distance) P-C4' energy: -12.112
flat angles C4'-P-C4' energy: -12.677
flat angles P-C4'-P energy: -12.116
tors. eta vs tors. theta energy: -18.949
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: 3
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -208.085141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.085141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.085141 (E_RNA)
where:
Base-Base interactions energy: -135.709
where: short stacking energy: -65.180
Base-Backbone interact. energy: -0.014
local terms energy: -72.361832
where:
bonds (distance) C4'-P energy: -11.537
bonds (distance) P-C4' energy: -16.409
flat angles C4'-P-C4' energy: -18.429
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -16.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -191.605203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.605203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.605203 (E_RNA)
where:
Base-Base interactions energy: -124.651
where: short stacking energy: -61.670
Base-Backbone interact. energy: -0.107
local terms energy: -66.847511
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -11.640
tors. eta vs tors. theta energy: -16.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -141.035496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.035496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.035496 (E_RNA)
where:
Base-Base interactions energy: -84.271
where: short stacking energy: -36.159
Base-Backbone interact. energy: -0.189
local terms energy: -56.575820
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -7.482
tors. eta vs tors. theta energy: -4.114
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: 8, replica: 5
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -88.045765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.045765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.045765 (E_RNA)
where:
Base-Base interactions energy: -34.809
where: short stacking energy: -24.333
Base-Backbone interact. energy: 0.125
local terms energy: -53.361373
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -11.479
tors. eta vs tors. theta energy: -1.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -78.874422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.874422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.874422 (E_RNA)
where:
Base-Base interactions energy: -28.931
where: short stacking energy: -15.021
Base-Backbone interact. energy: -0.933
local terms energy: -49.010740
where:
bonds (distance) C4'-P energy: -10.512
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: 0.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -91.225368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.225368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.225368 (E_RNA)
where:
Base-Base interactions energy: -34.960
where: short stacking energy: -34.960
Base-Backbone interact. energy: -0.061
local terms energy: -56.203675
where:
bonds (distance) C4'-P energy: -11.645
bonds (distance) P-C4' energy: -11.962
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -9.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -233.243732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.243732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.243732 (E_RNA)
where:
Base-Base interactions energy: -151.473
where: short stacking energy: -77.135
Base-Backbone interact. energy: -0.042
local terms energy: -81.728443
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -14.542
flat angles C4'-P-C4' energy: -17.139
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -23.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -234.047256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.047256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.047256 (E_RNA)
where:
Base-Base interactions energy: -154.615
where: short stacking energy: -79.686
Base-Backbone interact. energy: -0.555
local terms energy: -78.876948
where:
bonds (distance) C4'-P energy: -11.259
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -12.879
tors. eta vs tors. theta energy: -24.754
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: 3, replica: 10
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -222.067548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.067548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.067548 (E_RNA)
where:
Base-Base interactions energy: -146.115
where: short stacking energy: -70.710
Base-Backbone interact. energy: -0.457
local terms energy: -75.495669
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -14.898
flat angles C4'-P-C4' energy: -17.973
flat angles P-C4'-P energy: -7.405
tors. eta vs tors. theta energy: -21.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -212.676733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.676733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.676733 (E_RNA)
where:
Base-Base interactions energy: -143.734
where: short stacking energy: -59.972
Base-Backbone interact. energy: -0.255
local terms energy: -68.687548
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -6.968
tors. eta vs tors. theta energy: -17.343
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: 5, replica: 3
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -202.123445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.123445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.123445 (E_RNA)
where:
Base-Base interactions energy: -134.934
where: short stacking energy: -58.813
Base-Backbone interact. energy: -0.009
local terms energy: -67.181272
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -18.244
flat angles P-C4'-P energy: -5.442
tors. eta vs tors. theta energy: -14.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -211.277256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.277256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.277256 (E_RNA)
where:
Base-Base interactions energy: -140.501
where: short stacking energy: -60.322
Base-Backbone interact. energy: -0.525
local terms energy: -70.251374
where:
bonds (distance) C4'-P energy: -10.820
bonds (distance) P-C4' energy: -14.542
flat angles C4'-P-C4' energy: -17.201
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -17.853
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: 9
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -145.152483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.152483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.152483 (E_RNA)
where:
Base-Base interactions energy: -88.226
where: short stacking energy: -33.955
Base-Backbone interact. energy: -0.167
local terms energy: -56.759426
where:
bonds (distance) C4'-P energy: -11.976
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -6.345
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: 297
Temperature: 1.250000
Total energy: -86.348332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.348332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.348332 (E_RNA)
where:
Base-Base interactions energy: -32.056
where: short stacking energy: -32.056
Base-Backbone interact. energy: -0.048
local terms energy: -54.244171
where:
bonds (distance) C4'-P energy: -11.924
bonds (distance) P-C4' energy: -15.806
flat angles C4'-P-C4' energy: -11.519
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -5.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -81.648528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.648528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.648528 (E_RNA)
where:
Base-Base interactions energy: -35.753
where: short stacking energy: -35.753
Base-Backbone interact. energy: -0.099
local terms energy: -45.797210
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -8.455
flat angles P-C4'-P energy: -4.032
tors. eta vs tors. theta energy: -7.844
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: 1
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -77.999726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.999726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.999726 (E_RNA)
where:
Base-Base interactions energy: -20.025
where: short stacking energy: -17.788
Base-Backbone interact. energy: -0.006
local terms energy: -57.968828
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -17.757
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -7.599
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: 2
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -229.193625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.193625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.193625 (E_RNA)
where:
Base-Base interactions energy: -154.669
where: short stacking energy: -68.049
Base-Backbone interact. energy: -0.396
local terms energy: -74.128519
where:
bonds (distance) C4'-P energy: -10.988
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -12.301
tors. eta vs tors. theta energy: -19.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -234.582380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.582380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.582380 (E_RNA)
where:
Base-Base interactions energy: -149.607
where: short stacking energy: -72.752
Base-Backbone interact. energy: -0.337
local terms energy: -84.638081
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -15.960
flat angles P-C4'-P energy: -13.772
tors. eta vs tors. theta energy: -23.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -226.300015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.300015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.300015 (E_RNA)
where:
Base-Base interactions energy: -150.890
where: short stacking energy: -75.195
Base-Backbone interact. energy: -0.239
local terms energy: -75.171469
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -12.764
flat angles C4'-P-C4' energy: -18.128
flat angles P-C4'-P energy: -8.518
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: 4, replica: 8
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -211.287276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.287276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.287276 (E_RNA)
where:
Base-Base interactions energy: -142.116
where: short stacking energy: -57.565
Base-Backbone interact. energy: 0.175
local terms energy: -69.346340
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -17.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -212.073971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.073971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.073971 (E_RNA)
where:
Base-Base interactions energy: -137.085
where: short stacking energy: -69.271
Base-Backbone interact. energy: -0.005
local terms energy: -74.983603
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -14.513
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -23.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -201.314907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.314907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.314907 (E_RNA)
where:
Base-Base interactions energy: -138.877
where: short stacking energy: -71.271
Base-Backbone interact. energy: -0.003
local terms energy: -62.434540
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -11.475
flat angles C4'-P-C4' energy: -13.080
flat angles P-C4'-P energy: -7.624
tors. eta vs tors. theta energy: -17.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -154.741132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.741132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.741132 (E_RNA)
where:
Base-Base interactions energy: -93.818
where: short stacking energy: -40.863
Base-Backbone interact. energy: -0.177
local terms energy: -60.746527
where:
bonds (distance) C4'-P energy: -12.913
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -8.186
tors. eta vs tors. theta energy: -9.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -99.153477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.153477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.153477 (E_RNA)
where:
Base-Base interactions energy: -44.238
where: short stacking energy: -35.576
Base-Backbone interact. energy: 0.387
local terms energy: -55.302281
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -15.573
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: -4.543
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: 1
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -84.740998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.740998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.740998 (E_RNA)
where:
Base-Base interactions energy: -37.982
where: short stacking energy: -31.041
Base-Backbone interact. energy: -0.171
local terms energy: -46.587764
where:
bonds (distance) C4'-P energy: -8.040
bonds (distance) P-C4' energy: -17.415
flat angles C4'-P-C4' energy: -7.068
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -4.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -78.699527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.699527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.699527 (E_RNA)
where:
Base-Base interactions energy: -21.301
where: short stacking energy: -15.134
Base-Backbone interact. energy: -0.013
local terms energy: -57.385304
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -0.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -232.308555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.308555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.308555 (E_RNA)
where:
Base-Base interactions energy: -156.474
where: short stacking energy: -75.715
Base-Backbone interact. energy: -0.944
local terms energy: -74.890654
where:
bonds (distance) C4'-P energy: -14.518
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -19.083
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: 6
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -226.212889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.212889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.212889 (E_RNA)
where:
Base-Base interactions energy: -151.434
where: short stacking energy: -71.949
Base-Backbone interact. energy: 0.335
local terms energy: -75.113963
where:
bonds (distance) C4'-P energy: -11.270
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -13.070
tors. eta vs tors. theta energy: -21.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -221.045401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.045401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.045401 (E_RNA)
where:
Base-Base interactions energy: -143.896
where: short stacking energy: -65.557
Base-Backbone interact. energy: -0.220
local terms energy: -76.929092
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -6.975
tors. eta vs tors. theta energy: -20.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -217.212337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.212337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.212337 (E_RNA)
where:
Base-Base interactions energy: -150.965
where: short stacking energy: -70.209
Base-Backbone interact. energy: -0.602
local terms energy: -65.645750
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -1.823
tors. eta vs tors. theta energy: -19.553
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: 7
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -209.943177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.943177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.943177 (E_RNA)
where:
Base-Base interactions energy: -136.117
where: short stacking energy: -66.838
Base-Backbone interact. energy: -0.001
local terms energy: -73.825075
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -8.288
tors. eta vs tors. theta energy: -19.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -161.705874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.705874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.705874 (E_RNA)
where:
Base-Base interactions energy: -91.556
where: short stacking energy: -49.800
Base-Backbone interact. energy: -0.049
local terms energy: -70.100199
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -11.596
tors. eta vs tors. theta energy: -15.111
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: 3
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -190.822095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.822095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.822095 (E_RNA)
where:
Base-Base interactions energy: -122.455
where: short stacking energy: -57.618
Base-Backbone interact. energy: -0.733
local terms energy: -67.634280
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -9.744
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: -19.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -91.042316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.042316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.042316 (E_RNA)
where:
Base-Base interactions energy: -41.595
where: short stacking energy: -28.593
Base-Backbone interact. energy: 0.241
local terms energy: -49.688156
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -10.333
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -2.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -85.991593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.991593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.991593 (E_RNA)
where:
Base-Base interactions energy: -39.365
where: short stacking energy: -34.696
Base-Backbone interact. energy: -0.090
local terms energy: -46.535989
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -8.097
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -1.711
tors. eta vs tors. theta energy: -6.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -78.850809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.850809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.850809 (E_RNA)
where:
Base-Base interactions energy: -28.578
where: short stacking energy: -26.496
Base-Backbone interact. energy: -0.176
local terms energy: -50.096270
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -9.255
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -5.816
tors. eta vs tors. theta energy: -5.941
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: 6
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -224.355775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.355775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.355775 (E_RNA)
where:
Base-Base interactions energy: -148.641
where: short stacking energy: -74.168
Base-Backbone interact. energy: -0.129
local terms energy: -75.585530
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -7.595
tors. eta vs tors. theta energy: -20.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -226.301977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.301977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.301977 (E_RNA)
where:
Base-Base interactions energy: -152.548
where: short stacking energy: -71.323
Base-Backbone interact. energy: -0.060
local terms energy: -73.694067
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -15.229
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -19.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -220.980513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.980513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.980513 (E_RNA)
where:
Base-Base interactions energy: -147.041
where: short stacking energy: -71.108
Base-Backbone interact. energy: -0.580
local terms energy: -73.360184
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -13.224
tors. eta vs tors. theta energy: -19.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -225.632258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.632258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.632258 (E_RNA)
where:
Base-Base interactions energy: -151.477
where: short stacking energy: -67.482
Base-Backbone interact. energy: -0.175
local terms energy: -73.980661
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -20.192
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: 7
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -204.452898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.452898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.452898 (E_RNA)
where:
Base-Base interactions energy: -136.415
where: short stacking energy: -67.262
Base-Backbone interact. energy: -0.004
local terms energy: -68.033599
where:
bonds (distance) C4'-P energy: -9.388
bonds (distance) P-C4' energy: -16.580
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -8.267
tors. eta vs tors. theta energy: -18.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -172.882161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.882161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.882161 (E_RNA)
where:
Base-Base interactions energy: -109.403
where: short stacking energy: -47.683
Base-Backbone interact. energy: -0.260
local terms energy: -63.218426
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -6.631
tors. eta vs tors. theta energy: -12.142
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: 3
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -195.156284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.156284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.156284 (E_RNA)
where:
Base-Base interactions energy: -122.843
where: short stacking energy: -59.758
Base-Backbone interact. energy: -0.897
local terms energy: -71.416220
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -8.160
tors. eta vs tors. theta energy: -17.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -91.569298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.569298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.569298 (E_RNA)
where:
Base-Base interactions energy: -45.786
where: short stacking energy: -24.939
Base-Backbone interact. energy: -0.842
local terms energy: -44.941147
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -11.215
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: 0.568
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: 5
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -78.483530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.483530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.483530 (E_RNA)
where:
Base-Base interactions energy: -28.064
where: short stacking energy: -28.064
Base-Backbone interact. energy: -0.130
local terms energy: -50.289376
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -16.447
flat angles C4'-P-C4' energy: -10.567
flat angles P-C4'-P energy: -6.534
tors. eta vs tors. theta energy: -3.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -72.365042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.365042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.365042 (E_RNA)
where:
Base-Base interactions energy: -21.593
where: short stacking energy: -20.222
Base-Backbone interact. energy: -0.369
local terms energy: -50.403118
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -7.056
tors. eta vs tors. theta energy: 1.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -227.101910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.101910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.101910 (E_RNA)
where:
Base-Base interactions energy: -148.384
where: short stacking energy: -70.347
Base-Backbone interact. energy: -0.019
local terms energy: -78.699481
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -17.504
flat angles P-C4'-P energy: -12.537
tors. eta vs tors. theta energy: -20.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -231.254639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.254639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.254639 (E_RNA)
where:
Base-Base interactions energy: -152.703
where: short stacking energy: -71.914
Base-Backbone interact. energy: -0.588
local terms energy: -77.963862
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -20.841
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: 3, replica: 2
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -224.848250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.848250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.848250 (E_RNA)
where:
Base-Base interactions energy: -147.866
where: short stacking energy: -70.441
Base-Backbone interact. energy: -0.002
local terms energy: -76.980304
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -13.620
flat angles P-C4'-P energy: -12.753
tors. eta vs tors. theta energy: -22.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -218.920026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.920026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.920026 (E_RNA)
where:
Base-Base interactions energy: -139.958
where: short stacking energy: -71.687
Base-Backbone interact. energy: -1.765
local terms energy: -77.196275
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -12.531
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -14.177
tors. eta vs tors. theta energy: -22.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -214.320032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.320032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.320032 (E_RNA)
where:
Base-Base interactions energy: -142.796
where: short stacking energy: -71.933
Base-Backbone interact. energy: -0.014
local terms energy: -71.510566
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -7.544
tors. eta vs tors. theta energy: -21.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -201.105617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.105617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.105617 (E_RNA)
where:
Base-Base interactions energy: -124.853
where: short stacking energy: -59.393
Base-Backbone interact. energy: -0.002
local terms energy: -76.250629
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -19.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -162.231397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.231397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.231397 (E_RNA)
where:
Base-Base interactions energy: -101.327
where: short stacking energy: -42.045
Base-Backbone interact. energy: -0.244
local terms energy: -60.659906
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -11.049
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: -9.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -85.313906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.313906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.313906 (E_RNA)
where:
Base-Base interactions energy: -33.653
where: short stacking energy: -32.431
Base-Backbone interact. energy: 3.334
local terms energy: -54.994784
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -4.743
tors. eta vs tors. theta energy: -5.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -83.418925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.418925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.418925 (E_RNA)
where:
Base-Base interactions energy: -40.434
where: short stacking energy: -31.100
Base-Backbone interact. energy: -0.373
local terms energy: -42.612141
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -12.828
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -5.425
tors. eta vs tors. theta energy: 1.649
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: 10, replica: 4
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -70.276120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.276120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.276120 (E_RNA)
where:
Base-Base interactions energy: -16.560
where: short stacking energy: -16.560
Base-Backbone interact. energy: -0.004
local terms energy: -53.712770
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -14.210
flat angles C4'-P-C4' energy: -11.799
flat angles P-C4'-P energy: -8.407
tors. eta vs tors. theta energy: -1.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -220.454280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.454280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.454280 (E_RNA)
where:
Base-Base interactions energy: -147.942
where: short stacking energy: -67.721
Base-Backbone interact. energy: -0.001
local terms energy: -72.511047
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -16.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -233.881575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.881575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.881575 (E_RNA)
where:
Base-Base interactions energy: -155.501
where: short stacking energy: -76.984
Base-Backbone interact. energy: -0.003
local terms energy: -78.376891
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -11.855
flat angles C4'-P-C4' energy: -17.843
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -23.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -217.780622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.780622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.780622 (E_RNA)
where:
Base-Base interactions energy: -145.568
where: short stacking energy: -75.001
Base-Backbone interact. energy: -0.127
local terms energy: -72.086240
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -11.694
tors. eta vs tors. theta energy: -19.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -220.495078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.495078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.495078 (E_RNA)
where:
Base-Base interactions energy: -146.245
where: short stacking energy: -68.498
Base-Backbone interact. energy: -1.221
local terms energy: -73.029537
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -13.610
tors. eta vs tors. theta energy: -17.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -203.278554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.278554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.278554 (E_RNA)
where:
Base-Base interactions energy: -131.754
where: short stacking energy: -62.720
Base-Backbone interact. energy: -0.038
local terms energy: -71.486673
where:
bonds (distance) C4'-P energy: -11.747
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -17.727
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -16.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -203.791577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.791577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.791577 (E_RNA)
where:
Base-Base interactions energy: -138.405
where: short stacking energy: -68.389
Base-Backbone interact. energy: -0.020
local terms energy: -65.366126
where:
bonds (distance) C4'-P energy: -10.389
bonds (distance) P-C4' energy: -13.636
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -8.886
tors. eta vs tors. theta energy: -17.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -166.102274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.102274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.102274 (E_RNA)
where:
Base-Base interactions energy: -100.940
where: short stacking energy: -46.644
Base-Backbone interact. energy: -0.185
local terms energy: -64.977229
where:
bonds (distance) C4'-P energy: -10.120
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -16.739
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -11.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -100.773073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.773073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.773073 (E_RNA)
where:
Base-Base interactions energy: -52.339
where: short stacking energy: -36.941
Base-Backbone interact. energy: -0.334
local terms energy: -48.099931
where:
bonds (distance) C4'-P energy: -11.118
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -5.153
tors. eta vs tors. theta energy: -5.140
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: 4
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -85.523482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.523482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.523482 (E_RNA)
where:
Base-Base interactions energy: -34.197
where: short stacking energy: -34.197
Base-Backbone interact. energy: -0.056
local terms energy: -51.270195
where:
bonds (distance) C4'-P energy: -12.396
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -0.938
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: 1
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -71.464149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.464149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.464149 (E_RNA)
where:
Base-Base interactions energy: -27.303
where: short stacking energy: -27.303
Base-Backbone interact. energy: -0.223
local terms energy: -43.938327
where:
bonds (distance) C4'-P energy: -10.121
bonds (distance) P-C4' energy: -12.865
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: 4.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -226.507646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.507646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.507646 (E_RNA)
where:
Base-Base interactions energy: -149.314
where: short stacking energy: -78.589
Base-Backbone interact. energy: -0.784
local terms energy: -76.409590
where:
bonds (distance) C4'-P energy: -13.170
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -11.567
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: 2, replica: 6
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -232.149970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.149970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.149970 (E_RNA)
where:
Base-Base interactions energy: -154.900
where: short stacking energy: -76.476
Base-Backbone interact. energy: -0.097
local terms energy: -77.153167
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -14.166
tors. eta vs tors. theta energy: -20.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -221.787926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.787926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.787926 (E_RNA)
where:
Base-Base interactions energy: -142.850
where: short stacking energy: -67.850
Base-Backbone interact. energy: -0.815
local terms energy: -78.123550
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -18.487
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -19.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -197.529662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.529662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.529662 (E_RNA)
where:
Base-Base interactions energy: -130.327
where: short stacking energy: -73.559
Base-Backbone interact. energy: -0.326
local terms energy: -66.876367
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -11.247
flat angles C4'-P-C4' energy: -13.885
flat angles P-C4'-P energy: -10.575
tors. eta vs tors. theta energy: -16.512
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: 2
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -201.244427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.244427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.244427 (E_RNA)
where:
Base-Base interactions energy: -128.644
where: short stacking energy: -58.362
Base-Backbone interact. energy: -0.001
local terms energy: -72.599302
where:
bonds (distance) C4'-P energy: -12.545
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -13.884
tors. eta vs tors. theta energy: -16.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -203.379154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.379154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.379154 (E_RNA)
where:
Base-Base interactions energy: -133.128
where: short stacking energy: -67.525
Base-Backbone interact. energy: 0.481
local terms energy: -70.732518
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -19.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -184.745106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.745106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.745106 (E_RNA)
where:
Base-Base interactions energy: -133.036
where: short stacking energy: -36.345
Base-Backbone interact. energy: -0.076
local terms energy: -51.632534
where:
bonds (distance) C4'-P energy: -10.915
bonds (distance) P-C4' energy: -8.977
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -6.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -90.359172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.359172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.359172 (E_RNA)
where:
Base-Base interactions energy: -34.886
where: short stacking energy: -31.010
Base-Backbone interact. energy: -0.219
local terms energy: -55.254086
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -11.974
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: -6.734
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: 4
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -80.977142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.977142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.977142 (E_RNA)
where:
Base-Base interactions energy: -31.390
where: short stacking energy: -30.380
Base-Backbone interact. energy: -0.147
local terms energy: -49.439642
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -15.864
flat angles P-C4'-P energy: -5.626
tors. eta vs tors. theta energy: -1.425
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: 10, replica: 1
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -87.654803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.654803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.654803 (E_RNA)
where:
Base-Base interactions energy: -39.266
where: short stacking energy: -32.346
Base-Backbone interact. energy: -0.401
local terms energy: -47.987718
where:
bonds (distance) C4'-P energy: -9.345
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -5.466
tors. eta vs tors. theta energy: -4.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -231.438188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.438188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.438188 (E_RNA)
where:
Base-Base interactions energy: -151.782
where: short stacking energy: -71.926
Base-Backbone interact. energy: -0.620
local terms energy: -79.035829
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -20.727
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: 8
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -232.392290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.392290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.392290 (E_RNA)
where:
Base-Base interactions energy: -154.087
where: short stacking energy: -76.231
Base-Backbone interact. energy: -1.523
local terms energy: -76.782004
where:
bonds (distance) C4'-P energy: -13.227
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -13.820
tors. eta vs tors. theta energy: -19.639
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: 7
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -225.791630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.791630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.791630 (E_RNA)
where:
Base-Base interactions energy: -150.578
where: short stacking energy: -71.569
Base-Backbone interact. energy: -0.001
local terms energy: -75.212684
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -15.872
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -21.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -201.053243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.053243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.053243 (E_RNA)
where:
Base-Base interactions energy: -133.632
where: short stacking energy: -67.994
Base-Backbone interact. energy: -0.000
local terms energy: -67.421273
where:
bonds (distance) C4'-P energy: -10.534
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -9.371
tors. eta vs tors. theta energy: -19.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -214.866889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.866889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.866889 (E_RNA)
where:
Base-Base interactions energy: -141.437
where: short stacking energy: -67.065
Base-Backbone interact. energy: -0.002
local terms energy: -73.428227
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -22.236
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: 2
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -200.806761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.806761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.806761 (E_RNA)
where:
Base-Base interactions energy: -131.832
where: short stacking energy: -55.687
Base-Backbone interact. energy: -0.282
local terms energy: -68.693462
where:
bonds (distance) C4'-P energy: -11.189
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -11.302
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -18.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -175.413848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.413848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.413848 (E_RNA)
where:
Base-Base interactions energy: -113.806
where: short stacking energy: -38.144
Base-Backbone interact. energy: 0.112
local terms energy: -61.719559
where:
bonds (distance) C4'-P energy: -11.388
bonds (distance) P-C4' energy: -11.546
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -10.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -87.336881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.336881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.336881 (E_RNA)
where:
Base-Base interactions energy: -29.207
where: short stacking energy: -29.183
Base-Backbone interact. energy: -0.489
local terms energy: -57.641474
where:
bonds (distance) C4'-P energy: -11.976
bonds (distance) P-C4' energy: -15.982
flat angles C4'-P-C4' energy: -10.573
flat angles P-C4'-P energy: -12.462
tors. eta vs tors. theta energy: -6.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -98.821809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.821809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.821809 (E_RNA)
where:
Base-Base interactions energy: -46.598
where: short stacking energy: -32.219
Base-Backbone interact. energy: -0.090
local terms energy: -52.133578
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -7.622
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -8.254
tors. eta vs tors. theta energy: -9.979
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: 10, replica: 4
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -79.264671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.264671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.264671 (E_RNA)
where:
Base-Base interactions energy: -29.000
where: short stacking energy: -28.180
Base-Backbone interact. energy: -0.272
local terms energy: -49.992450
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -8.976
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -11.428
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: 6
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -233.941630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.941630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.941630 (E_RNA)
where:
Base-Base interactions energy: -153.043
where: short stacking energy: -70.041
Base-Backbone interact. energy: -0.018
local terms energy: -80.881437
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -15.163
flat angles P-C4'-P energy: -14.715
tors. eta vs tors. theta energy: -20.260
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: 305
Temperature: 0.950000
Total energy: -231.036366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.036366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.036366 (E_RNA)
where:
Base-Base interactions energy: -147.313
where: short stacking energy: -71.305
Base-Backbone interact. energy: -0.063
local terms energy: -83.659728
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -17.488
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -22.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -229.811614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.811614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.811614 (E_RNA)
where:
Base-Base interactions energy: -151.031
where: short stacking energy: -78.367
Base-Backbone interact. energy: -0.020
local terms energy: -78.760943
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -14.286
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -22.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -216.899292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.899292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.899292 (E_RNA)
where:
Base-Base interactions energy: -141.766
where: short stacking energy: -68.600
Base-Backbone interact. energy: -0.003
local terms energy: -75.130607
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -15.934
flat angles C4'-P-C4' energy: -16.583
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -17.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -215.470804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.470804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.470804 (E_RNA)
where:
Base-Base interactions energy: -139.633
where: short stacking energy: -71.693
Base-Backbone interact. energy: -0.406
local terms energy: -75.432242
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -12.601
tors. eta vs tors. theta energy: -17.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -147.493277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.493277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.493277 (E_RNA)
where:
Base-Base interactions energy: -88.581
where: short stacking energy: -44.889
Base-Backbone interact. energy: -0.629
local terms energy: -58.283544
where:
bonds (distance) C4'-P energy: -11.485
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -12.812
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -9.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -198.391391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.391391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.391391 (E_RNA)
where:
Base-Base interactions energy: -136.749
where: short stacking energy: -59.837
Base-Backbone interact. energy: -0.617
local terms energy: -61.025173
where:
bonds (distance) C4'-P energy: -7.646
bonds (distance) P-C4' energy: -14.813
flat angles C4'-P-C4' energy: -12.441
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -16.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -86.518586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.518586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.518586 (E_RNA)
where:
Base-Base interactions energy: -36.194
where: short stacking energy: -29.330
Base-Backbone interact. energy: -0.435
local terms energy: -49.890226
where:
bonds (distance) C4'-P energy: -10.936
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -15.502
flat angles P-C4'-P energy: -4.241
tors. eta vs tors. theta energy: -1.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -90.486423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.486423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.486423 (E_RNA)
where:
Base-Base interactions energy: -32.791
where: short stacking energy: -21.622
Base-Backbone interact. energy: -0.288
local terms energy: -57.407115
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -17.778
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -8.123
tors. eta vs tors. theta energy: -4.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -80.161087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.161087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.161087 (E_RNA)
where:
Base-Base interactions energy: -30.266
where: short stacking energy: -27.492
Base-Backbone interact. energy: -0.137
local terms energy: -49.758793
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -9.322
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -3.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -222.358148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.358148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.358148 (E_RNA)
where:
Base-Base interactions energy: -147.901
where: short stacking energy: -73.358
Base-Backbone interact. energy: -0.018
local terms energy: -74.439111
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -17.131
flat angles P-C4'-P energy: -5.521
tors. eta vs tors. theta energy: -21.498
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: 6
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -232.155603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.155603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.155603 (E_RNA)
where:
Base-Base interactions energy: -152.581
where: short stacking energy: -75.003
Base-Backbone interact. energy: -0.001
local terms energy: -79.573461
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -21.885
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: 10
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -208.880489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.880489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.880489 (E_RNA)
where:
Base-Base interactions energy: -136.367
where: short stacking energy: -72.228
Base-Backbone interact. energy: -0.100
local terms energy: -72.413138
where:
bonds (distance) C4'-P energy: -11.388
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -12.842
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -20.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -215.081747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.081747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.081747 (E_RNA)
where:
Base-Base interactions energy: -142.914
where: short stacking energy: -69.348
Base-Backbone interact. energy: -0.533
local terms energy: -71.634862
where:
bonds (distance) C4'-P energy: -10.197
bonds (distance) P-C4' energy: -12.803
flat angles C4'-P-C4' energy: -16.419
flat angles P-C4'-P energy: -11.524
tors. eta vs tors. theta energy: -20.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -209.893440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.893440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.893440 (E_RNA)
where:
Base-Base interactions energy: -144.807
where: short stacking energy: -73.284
Base-Backbone interact. energy: -0.046
local terms energy: -65.040782
where:
bonds (distance) C4'-P energy: -16.902
bonds (distance) P-C4' energy: -8.291
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -7.263
tors. eta vs tors. theta energy: -17.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -170.760336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.760336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.760336 (E_RNA)
where:
Base-Base interactions energy: -105.706
where: short stacking energy: -49.077
Base-Backbone interact. energy: -0.083
local terms energy: -64.971425
where:
bonds (distance) C4'-P energy: -17.426
bonds (distance) P-C4' energy: -15.741
flat angles C4'-P-C4' energy: -12.968
flat angles P-C4'-P energy: -9.548
tors. eta vs tors. theta energy: -9.288
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: 7, replica: 2
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -203.569562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.569562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.569562 (E_RNA)
where:
Base-Base interactions energy: -130.852
where: short stacking energy: -68.443
Base-Backbone interact. energy: -0.302
local terms energy: -72.415393
where:
bonds (distance) C4'-P energy: -11.411
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -6.799
tors. eta vs tors. theta energy: -21.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -86.405421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.405421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.405421 (E_RNA)
where:
Base-Base interactions energy: -35.056
where: short stacking energy: -30.768
Base-Backbone interact. energy: -0.247
local terms energy: -51.102467
where:
bonds (distance) C4'-P energy: -10.038
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -10.412
flat angles P-C4'-P energy: -9.898
tors. eta vs tors. theta energy: -4.506
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: 9, replica: 4
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -90.307450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.307450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.307450 (E_RNA)
where:
Base-Base interactions energy: -42.757
where: short stacking energy: -37.883
Base-Backbone interact. energy: 0.791
local terms energy: -48.341741
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -2.113
tors. eta vs tors. theta energy: -4.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -84.938383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.938383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.938383 (E_RNA)
where:
Base-Base interactions energy: -36.355
where: short stacking energy: -21.622
Base-Backbone interact. energy: -0.073
local terms energy: -48.510286
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -12.601
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -1.797
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: 307
Temperature: 0.900000
Total energy: -229.219941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.219941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.219941 (E_RNA)
where:
Base-Base interactions energy: -150.417
where: short stacking energy: -76.317
Base-Backbone interact. energy: -0.041
local terms energy: -78.761904
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -18.407
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -20.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -227.066619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.066619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.066619 (E_RNA)
where:
Base-Base interactions energy: -153.102
where: short stacking energy: -74.259
Base-Backbone interact. energy: -0.001
local terms energy: -73.963328
where:
bonds (distance) C4'-P energy: -10.904
bonds (distance) P-C4' energy: -17.133
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -20.209
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: 3, replica: 6
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -219.712326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.712326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.712326 (E_RNA)
where:
Base-Base interactions energy: -147.602
where: short stacking energy: -62.007
Base-Backbone interact. energy: -0.161
local terms energy: -71.950052
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -14.015
flat angles C4'-P-C4' energy: -16.614
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -17.576
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: 4, replica: 7
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -213.596616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.596616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.596616 (E_RNA)
where:
Base-Base interactions energy: -140.654
where: short stacking energy: -62.388
Base-Backbone interact. energy: -0.851
local terms energy: -72.091342
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -16.490
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: 5, replica: 3
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -207.325491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.325491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.325491 (E_RNA)
where:
Base-Base interactions energy: -137.193
where: short stacking energy: -62.071
Base-Backbone interact. energy: -0.128
local terms energy: -70.003845
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -15.295
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -16.513
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: 2
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -208.900581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.900581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.900581 (E_RNA)
where:
Base-Base interactions energy: -130.739
where: short stacking energy: -58.540
Base-Backbone interact. energy: -0.735
local terms energy: -77.426141
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -11.210
tors. eta vs tors. theta energy: -15.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -175.686336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.686336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.686336 (E_RNA)
where:
Base-Base interactions energy: -106.785
where: short stacking energy: -50.585
Base-Backbone interact. energy: -1.539
local terms energy: -67.361914
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -6.841
tors. eta vs tors. theta energy: -14.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -82.596522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.596522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.596522 (E_RNA)
where:
Base-Base interactions energy: -30.884
where: short stacking energy: -24.183
Base-Backbone interact. energy: -0.004
local terms energy: -51.708550
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -8.675
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: 0.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -85.429716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.429716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.429716 (E_RNA)
where:
Base-Base interactions energy: -38.532
where: short stacking energy: -29.744
Base-Backbone interact. energy: -0.104
local terms energy: -46.793430
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -9.852
flat angles C4'-P-C4' energy: -9.389
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: -5.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -102.196028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.196028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.196028 (E_RNA)
where:
Base-Base interactions energy: -54.398
where: short stacking energy: -24.774
Base-Backbone interact. energy: -0.861
local terms energy: -46.937396
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: 0.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -228.284315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.284315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.284315 (E_RNA)
where:
Base-Base interactions energy: -151.036
where: short stacking energy: -74.290
Base-Backbone interact. energy: -0.001
local terms energy: -77.247905
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -8.518
tors. eta vs tors. theta energy: -22.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -224.329313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.329313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.329313 (E_RNA)
where:
Base-Base interactions energy: -146.854
where: short stacking energy: -76.599
Base-Backbone interact. energy: -0.023
local terms energy: -77.452481
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -16.359
flat angles C4'-P-C4' energy: -16.851
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: -23.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -224.749617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.749617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.749617 (E_RNA)
where:
Base-Base interactions energy: -154.447
where: short stacking energy: -68.182
Base-Backbone interact. energy: -0.003
local terms energy: -70.299575
where:
bonds (distance) C4'-P energy: -10.526
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -13.294
flat angles P-C4'-P energy: -11.593
tors. eta vs tors. theta energy: -18.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -210.796624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.796624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.796624 (E_RNA)
where:
Base-Base interactions energy: -133.169
where: short stacking energy: -61.300
Base-Backbone interact. energy: -0.025
local terms energy: -77.602331
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -19.152
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -17.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -211.914266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.914266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.914266 (E_RNA)
where:
Base-Base interactions energy: -141.108
where: short stacking energy: -60.676
Base-Backbone interact. energy: -0.048
local terms energy: -70.758580
where:
bonds (distance) C4'-P energy: -15.579
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -12.610
flat angles P-C4'-P energy: -6.656
tors. eta vs tors. theta energy: -19.271
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: 6, replica: 2
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -194.343695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.343695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.343695 (E_RNA)
where:
Base-Base interactions energy: -118.765
where: short stacking energy: -59.687
Base-Backbone interact. energy: -0.002
local terms energy: -75.576649
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -13.638
tors. eta vs tors. theta energy: -15.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -160.709342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.709342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.709342 (E_RNA)
where:
Base-Base interactions energy: -102.341
where: short stacking energy: -51.272
Base-Backbone interact. energy: -0.997
local terms energy: -57.371093
where:
bonds (distance) C4'-P energy: -10.671
bonds (distance) P-C4' energy: -10.347
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -11.818
tors. eta vs tors. theta energy: -10.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -94.393488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.393488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.393488 (E_RNA)
where:
Base-Base interactions energy: -43.475
where: short stacking energy: -36.556
Base-Backbone interact. energy: -0.025
local terms energy: -50.893199
where:
bonds (distance) C4'-P energy: -9.510
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -4.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -81.782158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.782158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.782158 (E_RNA)
where:
Base-Base interactions energy: -34.536
where: short stacking energy: -32.214
Base-Backbone interact. energy: -0.261
local terms energy: -46.985308
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -11.981
flat angles C4'-P-C4' energy: -10.757
flat angles P-C4'-P energy: -6.807
tors. eta vs tors. theta energy: -3.527
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: 1
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -78.921809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.921809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.921809 (E_RNA)
where:
Base-Base interactions energy: -37.391
where: short stacking energy: -16.102
Base-Backbone interact. energy: 3.437
local terms energy: -44.967786
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -15.347
flat angles C4'-P-C4' energy: -15.295
flat angles P-C4'-P energy: -4.287
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: 10
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -231.352858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.352858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.352858 (E_RNA)
where:
Base-Base interactions energy: -150.494
where: short stacking energy: -69.879
Base-Backbone interact. energy: -0.575
local terms energy: -80.283719
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -13.707
flat angles C4'-P-C4' energy: -17.829
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -19.658
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: 2, replica: 7
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -226.264871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.264871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.264871 (E_RNA)
where:
Base-Base interactions energy: -148.548
where: short stacking energy: -68.819
Base-Backbone interact. energy: -0.099
local terms energy: -77.618242
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -14.953
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -12.406
tors. eta vs tors. theta energy: -18.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -227.124107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.124107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.124107 (E_RNA)
where:
Base-Base interactions energy: -153.241
where: short stacking energy: -71.259
Base-Backbone interact. energy: -0.007
local terms energy: -73.876269
where:
bonds (distance) C4'-P energy: -13.284
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -8.075
tors. eta vs tors. theta energy: -22.273
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: 3
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -219.053260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.053260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.053260 (E_RNA)
where:
Base-Base interactions energy: -139.946
where: short stacking energy: -62.584
Base-Backbone interact. energy: -0.287
local terms energy: -78.820462
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -13.885
tors. eta vs tors. theta energy: -19.174
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: 6
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -209.018808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.018808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.018808 (E_RNA)
where:
Base-Base interactions energy: -137.706
where: short stacking energy: -66.593
Base-Backbone interact. energy: -0.289
local terms energy: -71.024754
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -10.189
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -12.356
tors. eta vs tors. theta energy: -18.646
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: 6, replica: 2
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -191.822934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.822934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.822934 (E_RNA)
where:
Base-Base interactions energy: -125.345
where: short stacking energy: -65.024
Base-Backbone interact. energy: -0.104
local terms energy: -66.374236
where:
bonds (distance) C4'-P energy: -12.063
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: -17.353
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: 9
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -166.982588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.982588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.982588 (E_RNA)
where:
Base-Base interactions energy: -109.696
where: short stacking energy: -60.581
Base-Backbone interact. energy: -0.908
local terms energy: -56.378799
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -9.852
flat angles C4'-P-C4' energy: -7.691
flat angles P-C4'-P energy: -8.692
tors. eta vs tors. theta energy: -17.067
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: 5
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -80.567959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.567959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.567959 (E_RNA)
where:
Base-Base interactions energy: -36.502
where: short stacking energy: -32.945
Base-Backbone interact. energy: -0.155
local terms energy: -43.911259
where:
bonds (distance) C4'-P energy: -10.716
bonds (distance) P-C4' energy: -11.783
flat angles C4'-P-C4' energy: -11.239
flat angles P-C4'-P energy: -6.106
tors. eta vs tors. theta energy: -4.067
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: 4
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -80.021630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.021630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.021630 (E_RNA)
where:
Base-Base interactions energy: -30.021
where: short stacking energy: -26.839
Base-Backbone interact. energy: -0.213
local terms energy: -49.787297
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: 2.843
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: 1
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -79.081458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.081458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.081458 (E_RNA)
where:
Base-Base interactions energy: -48.730
where: short stacking energy: -26.942
Base-Backbone interact. energy: 1.632
local terms energy: -31.983464
where:
bonds (distance) C4'-P energy: -11.068
bonds (distance) P-C4' energy: -8.330
flat angles C4'-P-C4' energy: -7.859
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: 2.452
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: 10
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -232.435138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.435138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.435138 (E_RNA)
where:
Base-Base interactions energy: -153.571
where: short stacking energy: -75.943
Base-Backbone interact. energy: -0.000
local terms energy: -78.864044
where:
bonds (distance) C4'-P energy: -18.404
bonds (distance) P-C4' energy: -13.266
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -22.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -226.762122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.762122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.762122 (E_RNA)
where:
Base-Base interactions energy: -152.063
where: short stacking energy: -68.778
Base-Backbone interact. energy: -0.020
local terms energy: -74.679406
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -14.549
flat angles C4'-P-C4' energy: -15.768
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: -18.315
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: 3
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -219.246003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.246003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.246003 (E_RNA)
where:
Base-Base interactions energy: -145.283
where: short stacking energy: -67.734
Base-Backbone interact. energy: -0.066
local terms energy: -73.896853
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -17.582
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -16.486
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: 8
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -221.352589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.352589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.352589 (E_RNA)
where:
Base-Base interactions energy: -146.004
where: short stacking energy: -76.918
Base-Backbone interact. energy: -0.077
local terms energy: -75.271778
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -23.113
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: 6
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -206.697179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.697179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.697179 (E_RNA)
where:
Base-Base interactions energy: -130.208
where: short stacking energy: -54.990
Base-Backbone interact. energy: -0.131
local terms energy: -76.358006
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -16.831
flat angles P-C4'-P energy: -7.633
tors. eta vs tors. theta energy: -19.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -199.021047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.021047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.021047 (E_RNA)
where:
Base-Base interactions energy: -135.878
where: short stacking energy: -63.495
Base-Backbone interact. energy: -0.658
local terms energy: -62.485611
where:
bonds (distance) C4'-P energy: -8.228
bonds (distance) P-C4' energy: -10.455
flat angles C4'-P-C4' energy: -10.463
flat angles P-C4'-P energy: -12.627
tors. eta vs tors. theta energy: -20.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -167.167713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.167713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.167713 (E_RNA)
where:
Base-Base interactions energy: -99.654
where: short stacking energy: -46.598
Base-Backbone interact. energy: -0.532
local terms energy: -66.981815
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -10.824
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -13.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -91.236902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.236902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.236902 (E_RNA)
where:
Base-Base interactions energy: -47.520
where: short stacking energy: -40.898
Base-Backbone interact. energy: -0.208
local terms energy: -43.508844
where:
bonds (distance) C4'-P energy: -10.626
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -12.807
flat angles P-C4'-P energy: -6.399
tors. eta vs tors. theta energy: -1.036
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: 1
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -80.553521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.553521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.553521 (E_RNA)
where:
Base-Base interactions energy: -30.273
where: short stacking energy: -28.873
Base-Backbone interact. energy: -0.136
local terms energy: -50.144122
where:
bonds (distance) C4'-P energy: -8.845
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: -2.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -72.614744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.614744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.614744 (E_RNA)
where:
Base-Base interactions energy: -25.989
where: short stacking energy: -24.249
Base-Backbone interact. energy: 1.542
local terms energy: -48.167451
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: 2.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -236.216694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.216694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.216694 (E_RNA)
where:
Base-Base interactions energy: -153.372
where: short stacking energy: -77.380
Base-Backbone interact. energy: -0.283
local terms energy: -82.562367
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -16.614
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: -24.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -228.749117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.749117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.749117 (E_RNA)
where:
Base-Base interactions energy: -150.828
where: short stacking energy: -67.293
Base-Backbone interact. energy: 1.028
local terms energy: -78.949850
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -20.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -215.558492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.558492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.558492 (E_RNA)
where:
Base-Base interactions energy: -139.711
where: short stacking energy: -63.706
Base-Backbone interact. energy: -0.002
local terms energy: -75.845408
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -15.922
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -18.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -210.651277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.651277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.651277 (E_RNA)
where:
Base-Base interactions energy: -134.668
where: short stacking energy: -66.859
Base-Backbone interact. energy: 1.529
local terms energy: -77.511861
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: -18.730
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: 8
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -211.174921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.174921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.174921 (E_RNA)
where:
Base-Base interactions energy: -136.292
where: short stacking energy: -73.331
Base-Backbone interact. energy: -0.002
local terms energy: -74.880676
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -12.115
tors. eta vs tors. theta energy: -18.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -216.379731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.379731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.379731 (E_RNA)
where:
Base-Base interactions energy: -140.893
where: short stacking energy: -56.942
Base-Backbone interact. energy: -0.575
local terms energy: -74.912184
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -16.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -149.449972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.449972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.449972 (E_RNA)
where:
Base-Base interactions energy: -93.016
where: short stacking energy: -45.954
Base-Backbone interact. energy: -0.009
local terms energy: -56.424719
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -12.369
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -8.720
tors. eta vs tors. theta energy: -6.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -86.027447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.027447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.027447 (E_RNA)
where:
Base-Base interactions energy: -34.339
where: short stacking energy: -34.129
Base-Backbone interact. energy: -0.128
local terms energy: -51.560164
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -3.641
tors. eta vs tors. theta energy: -3.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -103.842425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.842425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.842425 (E_RNA)
where:
Base-Base interactions energy: -51.013
where: short stacking energy: -34.971
Base-Backbone interact. energy: -0.118
local terms energy: -52.711106
where:
bonds (distance) C4'-P energy: -7.479
bonds (distance) P-C4' energy: -16.070
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -6.037
tors. eta vs tors. theta energy: -9.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -84.476438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.476438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.476438 (E_RNA)
where:
Base-Base interactions energy: -31.179
where: short stacking energy: -29.046
Base-Backbone interact. energy: -0.103
local terms energy: -53.193829
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -17.406
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -6.578
tors. eta vs tors. theta energy: -1.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -234.502783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.502783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.502783 (E_RNA)
where:
Base-Base interactions energy: -158.086
where: short stacking energy: -81.216
Base-Backbone interact. energy: -0.001
local terms energy: -76.415943
where:
bonds (distance) C4'-P energy: -10.601
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -18.944
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -22.144
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: 3
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -222.118569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.118569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.118569 (E_RNA)
where:
Base-Base interactions energy: -145.475
where: short stacking energy: -75.214
Base-Backbone interact. energy: -0.049
local terms energy: -76.594289
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -18.111
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -18.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -206.580648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.580648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.580648 (E_RNA)
where:
Base-Base interactions energy: -138.720
where: short stacking energy: -65.441
Base-Backbone interact. energy: -0.246
local terms energy: -67.615459
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -7.875
tors. eta vs tors. theta energy: -14.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -203.574998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.574998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.574998 (E_RNA)
where:
Base-Base interactions energy: -135.307
where: short stacking energy: -67.206
Base-Backbone interact. energy: -0.034
local terms energy: -68.233111
where:
bonds (distance) C4'-P energy: -9.558
bonds (distance) P-C4' energy: -13.049
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -19.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -213.679007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.679007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.679007 (E_RNA)
where:
Base-Base interactions energy: -142.954
where: short stacking energy: -70.009
Base-Backbone interact. energy: -0.432
local terms energy: -70.293126
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -17.529
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: 8
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -195.443947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.443947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.443947 (E_RNA)
where:
Base-Base interactions energy: -127.510
where: short stacking energy: -64.123
Base-Backbone interact. energy: -0.000
local terms energy: -67.933711
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -18.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -174.539738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.539738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.539738 (E_RNA)
where:
Base-Base interactions energy: -116.871
where: short stacking energy: -56.960
Base-Backbone interact. energy: -0.079
local terms energy: -57.589228
where:
bonds (distance) C4'-P energy: -9.855
bonds (distance) P-C4' energy: -12.805
flat angles C4'-P-C4' energy: -12.224
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -14.310
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: 5
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -88.758158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.758158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.758158 (E_RNA)
where:
Base-Base interactions energy: -30.318
where: short stacking energy: -29.595
Base-Backbone interact. energy: -0.517
local terms energy: -57.922961
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -0.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -97.065822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.065822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.065822 (E_RNA)
where:
Base-Base interactions energy: -49.418
where: short stacking energy: -23.758
Base-Backbone interact. energy: -1.329
local terms energy: -46.318729
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -14.066
flat angles C4'-P-C4' energy: -13.425
flat angles P-C4'-P energy: -2.406
tors. eta vs tors. theta energy: -1.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -83.594900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.594900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.594900 (E_RNA)
where:
Base-Base interactions energy: -28.722
where: short stacking energy: -27.000
Base-Backbone interact. energy: 0.308
local terms energy: -55.181553
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -11.119
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -3.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -228.398137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.398137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.398137 (E_RNA)
where:
Base-Base interactions energy: -151.578
where: short stacking energy: -76.185
Base-Backbone interact. energy: 1.420
local terms energy: -78.240526
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -12.341
flat angles P-C4'-P energy: -13.415
tors. eta vs tors. theta energy: -20.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -231.905645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.905645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.905645 (E_RNA)
where:
Base-Base interactions energy: -152.070
where: short stacking energy: -76.193
Base-Backbone interact. energy: -0.001
local terms energy: -79.834991
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -17.840
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: -21.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -216.074724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.074724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.074724 (E_RNA)
where:
Base-Base interactions energy: -140.261
where: short stacking energy: -73.093
Base-Backbone interact. energy: -0.002
local terms energy: -75.811935
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -15.549
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -18.808
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: 313
Temperature: 1.050000
Total energy: -210.310534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.310534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.310534 (E_RNA)
where:
Base-Base interactions energy: -138.143
where: short stacking energy: -60.869
Base-Backbone interact. energy: -0.012
local terms energy: -72.155512
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -11.385
tors. eta vs tors. theta energy: -15.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -198.731754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.731754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.731754 (E_RNA)
where:
Base-Base interactions energy: -131.023
where: short stacking energy: -64.992
Base-Backbone interact. energy: -0.266
local terms energy: -67.443183
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -13.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -214.146876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.146876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.146876 (E_RNA)
where:
Base-Base interactions energy: -147.438
where: short stacking energy: -64.935
Base-Backbone interact. energy: -0.369
local terms energy: -66.340638
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -11.690
flat angles C4'-P-C4' energy: -11.871
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -19.673
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: 7, replica: 9
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -181.210589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.210589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.210589 (E_RNA)
where:
Base-Base interactions energy: -114.006
where: short stacking energy: -51.848
Base-Backbone interact. energy: -0.497
local terms energy: -66.707726
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -17.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -116.770606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.770606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.770606 (E_RNA)
where:
Base-Base interactions energy: -66.186
where: short stacking energy: -30.701
Base-Backbone interact. energy: 0.476
local terms energy: -51.061151
where:
bonds (distance) C4'-P energy: -12.606
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -11.782
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -2.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -85.406870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.406870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.406870 (E_RNA)
where:
Base-Base interactions energy: -30.619
where: short stacking energy: -18.216
Base-Backbone interact. energy: -1.400
local terms energy: -53.387915
where:
bonds (distance) C4'-P energy: -11.729
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -1.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -71.713032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.713032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.713032 (E_RNA)
where:
Base-Base interactions energy: -28.803
where: short stacking energy: -26.154
Base-Backbone interact. energy: -0.396
local terms energy: -42.514134
where:
bonds (distance) C4'-P energy: -7.102
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -1.598
tors. eta vs tors. theta energy: -2.877
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: 3
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -229.706831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.706831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.706831 (E_RNA)
where:
Base-Base interactions energy: -153.364
where: short stacking energy: -72.075
Base-Backbone interact. energy: 0.223
local terms energy: -76.565678
where:
bonds (distance) C4'-P energy: -10.807
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -20.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -230.702680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.702680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.702680 (E_RNA)
where:
Base-Base interactions energy: -153.850
where: short stacking energy: -78.477
Base-Backbone interact. energy: -0.248
local terms energy: -76.605501
where:
bonds (distance) C4'-P energy: -9.602
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -17.440
flat angles P-C4'-P energy: -12.112
tors. eta vs tors. theta energy: -21.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -212.648093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.648093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.648093 (E_RNA)
where:
Base-Base interactions energy: -137.512
where: short stacking energy: -64.870
Base-Backbone interact. energy: -0.016
local terms energy: -75.120589
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -14.901
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -17.009
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: 4, replica: 6
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -214.774633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.774633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.774633 (E_RNA)
where:
Base-Base interactions energy: -142.967
where: short stacking energy: -70.490
Base-Backbone interact. energy: 0.233
local terms energy: -72.040236
where:
bonds (distance) C4'-P energy: -10.075
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -16.794
flat angles P-C4'-P energy: -11.798
tors. eta vs tors. theta energy: -18.661
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: 8
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -214.543225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.543225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.543225 (E_RNA)
where:
Base-Base interactions energy: -144.504
where: short stacking energy: -70.699
Base-Backbone interact. energy: -0.217
local terms energy: -69.822130
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -13.971
flat angles C4'-P-C4' energy: -15.407
flat angles P-C4'-P energy: -8.256
tors. eta vs tors. theta energy: -19.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -208.175605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.175605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.175605 (E_RNA)
where:
Base-Base interactions energy: -141.347
where: short stacking energy: -67.762
Base-Backbone interact. energy: -0.003
local terms energy: -66.825600
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -10.531
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -20.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -170.867916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.867916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.867916 (E_RNA)
where:
Base-Base interactions energy: -107.538
where: short stacking energy: -56.330
Base-Backbone interact. energy: -0.103
local terms energy: -63.226793
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -8.163
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -7.485
tors. eta vs tors. theta energy: -15.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -88.071953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.071953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.071953 (E_RNA)
where:
Base-Base interactions energy: -33.243
where: short stacking energy: -29.240
Base-Backbone interact. energy: -0.209
local terms energy: -54.619504
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -7.750
tors. eta vs tors. theta energy: -5.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -95.485316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.485316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.485316 (E_RNA)
where:
Base-Base interactions energy: -42.907
where: short stacking energy: -18.801
Base-Backbone interact. energy: -0.042
local terms energy: -52.536479
where:
bonds (distance) C4'-P energy: -15.865
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -9.351
tors. eta vs tors. theta energy: 0.926
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: 10, replica: 5
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -76.299547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.299547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.299547 (E_RNA)
where:
Base-Base interactions energy: -27.108
where: short stacking energy: -25.285
Base-Backbone interact. energy: 0.718
local terms energy: -49.909319
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -12.459
flat angles C4'-P-C4' energy: -12.981
flat angles P-C4'-P energy: -8.545
tors. eta vs tors. theta energy: -0.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -232.601567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.601567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.601567 (E_RNA)
where:
Base-Base interactions energy: -155.896
where: short stacking energy: -72.460
Base-Backbone interact. energy: -0.006
local terms energy: -76.699739
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -12.543
tors. eta vs tors. theta energy: -18.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -226.391226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.391226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.391226 (E_RNA)
where:
Base-Base interactions energy: -156.271
where: short stacking energy: -71.451
Base-Backbone interact. energy: -0.003
local terms energy: -70.117517
where:
bonds (distance) C4'-P energy: -8.527
bonds (distance) P-C4' energy: -16.254
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -12.457
tors. eta vs tors. theta energy: -19.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -224.904868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.904868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.904868 (E_RNA)
where:
Base-Base interactions energy: -148.758
where: short stacking energy: -68.837
Base-Backbone interact. energy: -0.181
local terms energy: -75.966313
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -9.877
tors. eta vs tors. theta energy: -18.601
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: 315
Temperature: 1.050000
Total energy: -224.188310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.188310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.188310 (E_RNA)
where:
Base-Base interactions energy: -144.654
where: short stacking energy: -66.956
Base-Backbone interact. energy: -0.097
local terms energy: -79.437015
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -11.889
tors. eta vs tors. theta energy: -16.915
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: 6
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -209.743007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.743007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.743007 (E_RNA)
where:
Base-Base interactions energy: -133.765
where: short stacking energy: -68.486
Base-Backbone interact. energy: -0.593
local terms energy: -75.385970
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -17.626
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -19.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -204.561552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.561552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.561552 (E_RNA)
where:
Base-Base interactions energy: -133.207
where: short stacking energy: -63.951
Base-Backbone interact. energy: -0.015
local terms energy: -71.339058
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -17.248
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: -17.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -183.655123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.655123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.655123 (E_RNA)
where:
Base-Base interactions energy: -126.240
where: short stacking energy: -53.894
Base-Backbone interact. energy: -0.142
local terms energy: -57.272855
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -11.042
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -7.934
tors. eta vs tors. theta energy: -10.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -80.473316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.473316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.473316 (E_RNA)
where:
Base-Base interactions energy: -28.352
where: short stacking energy: -26.833
Base-Backbone interact. energy: -1.064
local terms energy: -51.057524
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: 1.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -95.453024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.453024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.453024 (E_RNA)
where:
Base-Base interactions energy: -47.188
where: short stacking energy: -42.893
Base-Backbone interact. energy: 0.093
local terms energy: -48.358597
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -17.138
flat angles C4'-P-C4' energy: -12.297
flat angles P-C4'-P energy: -3.427
tors. eta vs tors. theta energy: -2.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -77.611328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.611328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.611328 (E_RNA)
where:
Base-Base interactions energy: -21.810
where: short stacking energy: -21.564
Base-Backbone interact. energy: -0.061
local terms energy: -55.740168
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -12.618
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -1.720
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: 2
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -234.863387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.863387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.863387 (E_RNA)
where:
Base-Base interactions energy: -157.877
where: short stacking energy: -79.497
Base-Backbone interact. energy: -0.001
local terms energy: -76.985476
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -15.574
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -21.372
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: 3
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -226.418800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.418800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.418800 (E_RNA)
where:
Base-Base interactions energy: -146.676
where: short stacking energy: -63.211
Base-Backbone interact. energy: 0.253
local terms energy: -79.996127
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -21.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -215.783299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.783299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.783299 (E_RNA)
where:
Base-Base interactions energy: -146.942
where: short stacking energy: -72.919
Base-Backbone interact. energy: -0.007
local terms energy: -68.833554
where:
bonds (distance) C4'-P energy: -8.824
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -15.639
flat angles P-C4'-P energy: -8.172
tors. eta vs tors. theta energy: -20.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -215.559639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.559639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.559639 (E_RNA)
where:
Base-Base interactions energy: -139.754
where: short stacking energy: -69.589
Base-Backbone interact. energy: -0.007
local terms energy: -75.798061
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -13.261
tors. eta vs tors. theta energy: -17.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -205.605563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.605563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.605563 (E_RNA)
where:
Base-Base interactions energy: -130.173
where: short stacking energy: -71.949
Base-Backbone interact. energy: -0.619
local terms energy: -74.813404
where:
bonds (distance) C4'-P energy: -9.931
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -16.962
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -22.490
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: 6, replica: 7
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -198.734146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.734146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.734146 (E_RNA)
where:
Base-Base interactions energy: -133.020
where: short stacking energy: -62.826
Base-Backbone interact. energy: 0.324
local terms energy: -66.037681
where:
bonds (distance) C4'-P energy: -16.972
bonds (distance) P-C4' energy: -7.793
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -16.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -174.918472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.918472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.918472 (E_RNA)
where:
Base-Base interactions energy: -110.013
where: short stacking energy: -45.491
Base-Backbone interact. energy: -0.004
local terms energy: -64.900716
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -6.726
tors. eta vs tors. theta energy: -13.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -80.457432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.457432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.457432 (E_RNA)
where:
Base-Base interactions energy: -31.188
where: short stacking energy: -31.188
Base-Backbone interact. energy: -0.381
local terms energy: -48.888841
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -13.466
flat angles C4'-P-C4' energy: -12.642
flat angles P-C4'-P energy: -3.157
tors. eta vs tors. theta energy: -8.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -81.356124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.356124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.356124 (E_RNA)
where:
Base-Base interactions energy: -40.788
where: short stacking energy: -39.550
Base-Backbone interact. energy: -0.107
local terms energy: -40.461091
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -7.891
flat angles P-C4'-P energy: -5.521
tors. eta vs tors. theta energy: -2.436
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: 5
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -75.861400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.861400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.861400 (E_RNA)
where:
Base-Base interactions energy: -20.528
where: short stacking energy: -20.528
Base-Backbone interact. energy: -0.120
local terms energy: -55.213001
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -10.831
flat angles P-C4'-P energy: -9.279
tors. eta vs tors. theta energy: -5.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -233.609631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.609631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.609631 (E_RNA)
where:
Base-Base interactions energy: -158.003
where: short stacking energy: -79.803
Base-Backbone interact. energy: -0.000
local terms energy: -75.606100
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -12.230
tors. eta vs tors. theta energy: -21.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -216.863988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.863988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.863988 (E_RNA)
where:
Base-Base interactions energy: -145.938
where: short stacking energy: -70.360
Base-Backbone interact. energy: -0.046
local terms energy: -70.879775
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -18.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -217.412648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.412648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.412648 (E_RNA)
where:
Base-Base interactions energy: -140.163
where: short stacking energy: -71.103
Base-Backbone interact. energy: -0.044
local terms energy: -77.205638
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -12.960
tors. eta vs tors. theta energy: -21.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -208.320075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.320075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.320075 (E_RNA)
where:
Base-Base interactions energy: -148.315
where: short stacking energy: -67.229
Base-Backbone interact. energy: -0.096
local terms energy: -59.908689
where:
bonds (distance) C4'-P energy: -4.013
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -7.475
tors. eta vs tors. theta energy: -20.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -192.168035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.168035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.168035 (E_RNA)
where:
Base-Base interactions energy: -119.750
where: short stacking energy: -53.832
Base-Backbone interact. energy: -0.846
local terms energy: -71.571870
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -13.161
tors. eta vs tors. theta energy: -13.194
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: 9
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -179.239535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.239535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.239535 (E_RNA)
where:
Base-Base interactions energy: -119.870
where: short stacking energy: -58.657
Base-Backbone interact. energy: -0.006
local terms energy: -59.363653
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -13.661
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -6.973
tors. eta vs tors. theta energy: -12.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -197.117685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.117685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.117685 (E_RNA)
where:
Base-Base interactions energy: -131.297
where: short stacking energy: -61.849
Base-Backbone interact. energy: -0.584
local terms energy: -65.236696
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -12.537
flat angles P-C4'-P energy: -8.535
tors. eta vs tors. theta energy: -13.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -93.215665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.215665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.215665 (E_RNA)
where:
Base-Base interactions energy: -39.922
where: short stacking energy: -32.601
Base-Backbone interact. energy: 1.162
local terms energy: -54.455347
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -13.287
flat angles C4'-P-C4' energy: -10.175
flat angles P-C4'-P energy: -8.186
tors. eta vs tors. theta energy: -8.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -80.208251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.208251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.208251 (E_RNA)
where:
Base-Base interactions energy: -27.927
where: short stacking energy: -26.480
Base-Backbone interact. energy: -0.171
local terms energy: -52.109459
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -15.834
flat angles C4'-P-C4' energy: -8.402
flat angles P-C4'-P energy: -9.319
tors. eta vs tors. theta energy: -3.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -91.865533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.865533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.865533 (E_RNA)
where:
Base-Base interactions energy: -39.145
where: short stacking energy: -39.145
Base-Backbone interact. energy: -0.017
local terms energy: -52.703628
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -12.945
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -5.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -220.816357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.816357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.816357 (E_RNA)
where:
Base-Base interactions energy: -140.372
where: short stacking energy: -74.201
Base-Backbone interact. energy: -0.002
local terms energy: -80.442588
where:
bonds (distance) C4'-P energy: -16.587
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -17.400
flat angles P-C4'-P energy: -11.814
tors. eta vs tors. theta energy: -19.822
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: 2, replica: 10
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -216.304164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.304164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.304164 (E_RNA)
where:
Base-Base interactions energy: -137.805
where: short stacking energy: -63.722
Base-Backbone interact. energy: -0.058
local terms energy: -78.441020
where:
bonds (distance) C4'-P energy: -16.175
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -11.740
tors. eta vs tors. theta energy: -19.570
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: 3
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -216.888693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.888693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.888693 (E_RNA)
where:
Base-Base interactions energy: -142.830
where: short stacking energy: -70.675
Base-Backbone interact. energy: -0.010
local terms energy: -74.048658
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -11.896
flat angles C4'-P-C4' energy: -17.800
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -20.217
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: 4, replica: 8
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -205.644654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.644654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.644654 (E_RNA)
where:
Base-Base interactions energy: -142.710
where: short stacking energy: -62.089
Base-Backbone interact. energy: -0.644
local terms energy: -62.290277
where:
bonds (distance) C4'-P energy: -13.769
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -7.563
tors. eta vs tors. theta energy: -14.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -190.536602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.536602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.536602 (E_RNA)
where:
Base-Base interactions energy: -127.996
where: short stacking energy: -53.072
Base-Backbone interact. energy: -0.554
local terms energy: -61.986668
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -9.816
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -8.613
tors. eta vs tors. theta energy: -14.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -157.616489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.616489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.616489 (E_RNA)
where:
Base-Base interactions energy: -89.987
where: short stacking energy: -51.846
Base-Backbone interact. energy: -1.156
local terms energy: -66.472677
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -16.393
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -11.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -205.349986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.349986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.349986 (E_RNA)
where:
Base-Base interactions energy: -137.840
where: short stacking energy: -67.003
Base-Backbone interact. energy: -0.791
local terms energy: -66.719035
where:
bonds (distance) C4'-P energy: -9.256
bonds (distance) P-C4' energy: -13.478
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -13.514
tors. eta vs tors. theta energy: -16.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -95.409547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.409547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.409547 (E_RNA)
where:
Base-Base interactions energy: -42.680
where: short stacking energy: -30.625
Base-Backbone interact. energy: 1.432
local terms energy: -54.161938
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -12.239
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -2.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -77.508026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.508026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.508026 (E_RNA)
where:
Base-Base interactions energy: -29.857
where: short stacking energy: -24.971
Base-Backbone interact. energy: 0.831
local terms energy: -48.481647
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -9.597
flat angles P-C4'-P energy: -7.836
tors. eta vs tors. theta energy: -1.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -93.223993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.223993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.223993 (E_RNA)
where:
Base-Base interactions energy: -35.475
where: short stacking energy: -32.899
Base-Backbone interact. energy: -0.006
local terms energy: -57.743502
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -7.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -224.667999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.667999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.667999 (E_RNA)
where:
Base-Base interactions energy: -145.210
where: short stacking energy: -71.905
Base-Backbone interact. energy: -0.288
local terms energy: -79.169996
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -21.534
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: 3
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -231.937060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.937060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.937060 (E_RNA)
where:
Base-Base interactions energy: -149.535
where: short stacking energy: -70.915
Base-Backbone interact. energy: -0.623
local terms energy: -81.778606
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -13.459
tors. eta vs tors. theta energy: -19.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -215.804270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.804270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.804270 (E_RNA)
where:
Base-Base interactions energy: -144.957
where: short stacking energy: -63.718
Base-Backbone interact. energy: -0.149
local terms energy: -70.698317
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -11.193
flat angles P-C4'-P energy: -12.701
tors. eta vs tors. theta energy: -14.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -226.420383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.420383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.420383 (E_RNA)
where:
Base-Base interactions energy: -156.135
where: short stacking energy: -77.320
Base-Backbone interact. energy: -0.752
local terms energy: -69.533866
where:
bonds (distance) C4'-P energy: -14.656
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -6.632
tors. eta vs tors. theta energy: -19.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -193.514466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.514466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.514466 (E_RNA)
where:
Base-Base interactions energy: -121.729
where: short stacking energy: -62.452
Base-Backbone interact. energy: -0.107
local terms energy: -71.678598
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -16.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -205.021241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.021241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.021241 (E_RNA)
where:
Base-Base interactions energy: -142.847
where: short stacking energy: -69.890
Base-Backbone interact. energy: -0.165
local terms energy: -62.009814
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -13.019
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -5.756
tors. eta vs tors. theta energy: -15.006
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: 7, replica: 9
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -157.854764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.854764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.854764 (E_RNA)
where:
Base-Base interactions energy: -101.818
where: short stacking energy: -51.817
Base-Backbone interact. energy: -0.176
local terms energy: -55.861533
where:
bonds (distance) C4'-P energy: -12.390
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -9.746
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: -10.959
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: 5
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -84.292583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.292583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.292583 (E_RNA)
where:
Base-Base interactions energy: -28.804
where: short stacking energy: -29.204
Base-Backbone interact. energy: -0.134
local terms energy: -55.355355
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -13.149
flat angles P-C4'-P energy: -7.571
tors. eta vs tors. theta energy: -4.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -81.189673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.189673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.189673 (E_RNA)
where:
Base-Base interactions energy: -32.795
where: short stacking energy: -30.670
Base-Backbone interact. energy: 1.687
local terms energy: -50.080957
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -9.493
flat angles P-C4'-P energy: -6.526
tors. eta vs tors. theta energy: -5.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -79.937875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.937875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.937875 (E_RNA)
where:
Base-Base interactions energy: -25.755
where: short stacking energy: -25.755
Base-Backbone interact. energy: 0.148
local terms energy: -54.331623
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -11.123
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -4.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -222.977545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.977545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.977545 (E_RNA)
where:
Base-Base interactions energy: -142.087
where: short stacking energy: -72.697
Base-Backbone interact. energy: -0.194
local terms energy: -80.696252
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -16.925
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -22.145
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: 2
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -223.042944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.042944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.042944 (E_RNA)
where:
Base-Base interactions energy: -144.915
where: short stacking energy: -68.524
Base-Backbone interact. energy: -0.007
local terms energy: -78.121372
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -13.205
tors. eta vs tors. theta energy: -18.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -217.014092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.014092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.014092 (E_RNA)
where:
Base-Base interactions energy: -146.457
where: short stacking energy: -68.299
Base-Backbone interact. energy: -0.007
local terms energy: -70.549858
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -12.075
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -11.427
tors. eta vs tors. theta energy: -20.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -211.909356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.909356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.909356 (E_RNA)
where:
Base-Base interactions energy: -138.980
where: short stacking energy: -61.530
Base-Backbone interact. energy: -0.030
local terms energy: -72.899619
where:
bonds (distance) C4'-P energy: -16.273
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -16.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -205.173200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.173200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.173200 (E_RNA)
where:
Base-Base interactions energy: -131.767
where: short stacking energy: -67.959
Base-Backbone interact. energy: -0.000
local terms energy: -73.405986
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -15.319
flat angles P-C4'-P energy: -8.009
tors. eta vs tors. theta energy: -19.727
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: 8
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -188.323425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.323425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.323425 (E_RNA)
where:
Base-Base interactions energy: -119.457
where: short stacking energy: -56.085
Base-Backbone interact. energy: -0.166
local terms energy: -68.700430
where:
bonds (distance) C4'-P energy: -11.811
bonds (distance) P-C4' energy: -15.844
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -17.038
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: 5
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -91.409246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.409246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.409246 (E_RNA)
where:
Base-Base interactions energy: -40.739
where: short stacking energy: -28.605
Base-Backbone interact. energy: -0.124
local terms energy: -50.546002
where:
bonds (distance) C4'-P energy: -14.734
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -6.773
tors. eta vs tors. theta energy: 0.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -155.813727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.813727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.813727 (E_RNA)
where:
Base-Base interactions energy: -100.004
where: short stacking energy: -53.442
Base-Backbone interact. energy: -0.190
local terms energy: -55.620061
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -11.351
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -6.108
tors. eta vs tors. theta energy: -9.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -85.536259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.536259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.536259 (E_RNA)
where:
Base-Base interactions energy: -29.362
where: short stacking energy: -29.161
Base-Backbone interact. energy: -0.034
local terms energy: -56.139736
where:
bonds (distance) C4'-P energy: -9.664
bonds (distance) P-C4' energy: -10.000
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -10.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -71.028242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.028242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.028242 (E_RNA)
where:
Base-Base interactions energy: -17.930
where: short stacking energy: -17.930
Base-Backbone interact. energy: -0.267
local terms energy: -52.831282
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -10.831
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -2.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -230.270424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.270424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.270424 (E_RNA)
where:
Base-Base interactions energy: -147.664
where: short stacking energy: -75.656
Base-Backbone interact. energy: -0.024
local terms energy: -82.582346
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -16.912
flat angles P-C4'-P energy: -13.004
tors. eta vs tors. theta energy: -19.775
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: 6
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -221.657897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.657897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.657897 (E_RNA)
where:
Base-Base interactions energy: -157.487
where: short stacking energy: -67.344
Base-Backbone interact. energy: -0.192
local terms energy: -63.979112
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -11.879
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -16.639
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: 321
Temperature: 1.000000
Total energy: -227.407163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.407163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.407163 (E_RNA)
where:
Base-Base interactions energy: -151.008
where: short stacking energy: -78.547
Base-Backbone interact. energy: -0.001
local terms energy: -76.398869
where:
bonds (distance) C4'-P energy: -15.219
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: -19.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -216.896052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.896052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.896052 (E_RNA)
where:
Base-Base interactions energy: -144.028
where: short stacking energy: -69.706
Base-Backbone interact. energy: 1.299
local terms energy: -74.166938
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: -17.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -217.368639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.368639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.368639 (E_RNA)
where:
Base-Base interactions energy: -147.612
where: short stacking energy: -79.125
Base-Backbone interact. energy: 0.746
local terms energy: -70.501790
where:
bonds (distance) C4'-P energy: -10.869
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -16.757
flat angles P-C4'-P energy: -4.182
tors. eta vs tors. theta energy: -23.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -200.646846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.646846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.646846 (E_RNA)
where:
Base-Base interactions energy: -129.308
where: short stacking energy: -63.788
Base-Backbone interact. energy: -0.789
local terms energy: -70.550448
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -12.708
flat angles C4'-P-C4' energy: -11.301
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -21.388
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: 7, replica: 5
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -86.287920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.287920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.287920 (E_RNA)
where:
Base-Base interactions energy: -33.532
where: short stacking energy: -33.241
Base-Backbone interact. energy: -0.122
local terms energy: -52.633963
where:
bonds (distance) C4'-P energy: -16.273
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -4.208
tors. eta vs tors. theta energy: -4.500
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: 321
Temperature: 1.250000
Total energy: -137.050458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.050458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.050458 (E_RNA)
where:
Base-Base interactions energy: -74.151
where: short stacking energy: -39.181
Base-Backbone interact. energy: -1.728
local terms energy: -61.170937
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -7.731
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -12.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -87.882420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.882420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.882420 (E_RNA)
where:
Base-Base interactions energy: -40.900
where: short stacking energy: -38.948
Base-Backbone interact. energy: 1.357
local terms energy: -48.339308
where:
bonds (distance) C4'-P energy: -9.656
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -2.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -71.051674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.051674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.051674 (E_RNA)
where:
Base-Base interactions energy: -24.052
where: short stacking energy: -19.843
Base-Backbone interact. energy: -0.160
local terms energy: -46.839274
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -10.093
flat angles C4'-P-C4' energy: -12.509
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -0.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -224.522332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.522332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.522332 (E_RNA)
where:
Base-Base interactions energy: -147.735
where: short stacking energy: -74.846
Base-Backbone interact. energy: -0.002
local terms energy: -76.785504
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -11.667
tors. eta vs tors. theta energy: -20.675
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: 2, replica: 6
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -215.437733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.437733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.437733 (E_RNA)
where:
Base-Base interactions energy: -136.451
where: short stacking energy: -66.819
Base-Backbone interact. energy: -0.792
local terms energy: -78.194115
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -18.472
flat angles C4'-P-C4' energy: -12.590
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: -20.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -225.206718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.206718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.206718 (E_RNA)
where:
Base-Base interactions energy: -146.871
where: short stacking energy: -73.236
Base-Backbone interact. energy: -0.085
local terms energy: -78.251092
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -22.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -206.895411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.895411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.895411 (E_RNA)
where:
Base-Base interactions energy: -133.280
where: short stacking energy: -60.901
Base-Backbone interact. energy: -0.361
local terms energy: -73.255286
where:
bonds (distance) C4'-P energy: -12.337
bonds (distance) P-C4' energy: -15.337
flat angles C4'-P-C4' energy: -17.998
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -17.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -219.947145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.947145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.947145 (E_RNA)
where:
Base-Base interactions energy: -151.330
where: short stacking energy: -72.354
Base-Backbone interact. energy: -0.028
local terms energy: -68.589117
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -11.846
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -19.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -206.686088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.686088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.686088 (E_RNA)
where:
Base-Base interactions energy: -141.027
where: short stacking energy: -69.059
Base-Backbone interact. energy: -0.590
local terms energy: -65.068900
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -13.403
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: -16.501
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: 7, replica: 9
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -146.809559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.809559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.809559 (E_RNA)
where:
Base-Base interactions energy: -91.410
where: short stacking energy: -48.341
Base-Backbone interact. energy: -0.029
local terms energy: -55.370382
where:
bonds (distance) C4'-P energy: -8.415
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: -10.291
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: 5
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -92.738414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.738414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.738414 (E_RNA)
where:
Base-Base interactions energy: -38.289
where: short stacking energy: -34.656
Base-Backbone interact. energy: -0.107
local terms energy: -54.342388
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -3.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -85.153158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.153158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.153158 (E_RNA)
where:
Base-Base interactions energy: -31.128
where: short stacking energy: -31.128
Base-Backbone interact. energy: 0.282
local terms energy: -54.306528
where:
bonds (distance) C4'-P energy: -11.736
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -10.069
flat angles P-C4'-P energy: -7.970
tors. eta vs tors. theta energy: -8.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -74.684915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.684915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.684915 (E_RNA)
where:
Base-Base interactions energy: -31.577
where: short stacking energy: -31.577
Base-Backbone interact. energy: -0.574
local terms energy: -42.534025
where:
bonds (distance) C4'-P energy: -10.361
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -4.075
tors. eta vs tors. theta energy: -0.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -227.786426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.786426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.786426 (E_RNA)
where:
Base-Base interactions energy: -155.376
where: short stacking energy: -74.329
Base-Backbone interact. energy: -0.666
local terms energy: -71.745117
where:
bonds (distance) C4'-P energy: -11.359
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -11.681
tors. eta vs tors. theta energy: -19.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -227.346849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.346849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.346849 (E_RNA)
where:
Base-Base interactions energy: -148.412
where: short stacking energy: -76.878
Base-Backbone interact. energy: -0.369
local terms energy: -78.565126
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -11.399
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -14.154
tors. eta vs tors. theta energy: -21.346
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: 6
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -204.544612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.544612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.544612 (E_RNA)
where:
Base-Base interactions energy: -138.751
where: short stacking energy: -68.321
Base-Backbone interact. energy: -0.048
local terms energy: -65.745749
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -10.805
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -14.348
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: 4, replica: 10
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -212.379119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.379119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.379119 (E_RNA)
where:
Base-Base interactions energy: -139.939
where: short stacking energy: -75.417
Base-Backbone interact. energy: -0.021
local terms energy: -72.418743
where:
bonds (distance) C4'-P energy: -11.007
bonds (distance) P-C4' energy: -13.972
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -12.501
tors. eta vs tors. theta energy: -17.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -207.757209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.757209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.757209 (E_RNA)
where:
Base-Base interactions energy: -143.565
where: short stacking energy: -71.053
Base-Backbone interact. energy: -0.608
local terms energy: -63.584176
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -14.788
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -3.838
tors. eta vs tors. theta energy: -17.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -202.253332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.253332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.253332 (E_RNA)
where:
Base-Base interactions energy: -133.521
where: short stacking energy: -67.576
Base-Backbone interact. energy: 0.352
local terms energy: -69.084499
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -11.192
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: -19.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -166.081852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.081852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.081852 (E_RNA)
where:
Base-Base interactions energy: -103.588
where: short stacking energy: -51.365
Base-Backbone interact. energy: -0.023
local terms energy: -62.471020
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -15.192
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -10.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -95.602144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.602144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.602144 (E_RNA)
where:
Base-Base interactions energy: -33.809
where: short stacking energy: -32.040
Base-Backbone interact. energy: -0.079
local terms energy: -61.713993
where:
bonds (distance) C4'-P energy: -15.050
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -12.057
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -6.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -79.091883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.091883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.091883 (E_RNA)
where:
Base-Base interactions energy: -39.380
where: short stacking energy: -38.837
Base-Backbone interact. energy: -0.094
local terms energy: -39.617776
where:
bonds (distance) C4'-P energy: -8.461
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -8.999
flat angles P-C4'-P energy: -5.299
tors. eta vs tors. theta energy: -4.606
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: 1
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -78.528149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.528149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.528149 (E_RNA)
where:
Base-Base interactions energy: -26.255
where: short stacking energy: -23.784
Base-Backbone interact. energy: -0.327
local terms energy: -51.945865
where:
bonds (distance) C4'-P energy: -10.859
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -3.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -234.787120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.787120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.787120 (E_RNA)
where:
Base-Base interactions energy: -153.436
where: short stacking energy: -74.745
Base-Backbone interact. energy: -0.004
local terms energy: -81.346898
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -13.399
tors. eta vs tors. theta energy: -20.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -226.000367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.000367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.000367 (E_RNA)
where:
Base-Base interactions energy: -149.126
where: short stacking energy: -68.947
Base-Backbone interact. energy: -0.000
local terms energy: -76.874201
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -14.577
flat angles C4'-P-C4' energy: -16.726
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -21.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -215.606069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.606069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.606069 (E_RNA)
where:
Base-Base interactions energy: -141.643
where: short stacking energy: -75.429
Base-Backbone interact. energy: -0.576
local terms energy: -73.386876
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -13.130
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -19.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -201.775646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.775646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.775646 (E_RNA)
where:
Base-Base interactions energy: -132.883
where: short stacking energy: -51.785
Base-Backbone interact. energy: -0.243
local terms energy: -68.649673
where:
bonds (distance) C4'-P energy: -17.178
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -12.686
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: 5, replica: 8
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -208.757275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.757275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.757275 (E_RNA)
where:
Base-Base interactions energy: -142.667
where: short stacking energy: -68.550
Base-Backbone interact. energy: -0.031
local terms energy: -66.059503
where:
bonds (distance) C4'-P energy: -5.612
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -10.353
tors. eta vs tors. theta energy: -22.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -211.029625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.029625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.029625 (E_RNA)
where:
Base-Base interactions energy: -139.503
where: short stacking energy: -63.961
Base-Backbone interact. energy: -0.164
local terms energy: -71.362322
where:
bonds (distance) C4'-P energy: -10.225
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -12.187
tors. eta vs tors. theta energy: -18.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -169.899850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.899850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.899850 (E_RNA)
where:
Base-Base interactions energy: -107.149
where: short stacking energy: -50.691
Base-Backbone interact. energy: -0.375
local terms energy: -62.375290
where:
bonds (distance) C4'-P energy: -9.884
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -12.418
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -13.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -86.786892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.786892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.786892 (E_RNA)
where:
Base-Base interactions energy: -31.234
where: short stacking energy: -31.100
Base-Backbone interact. energy: -0.040
local terms energy: -55.512614
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -14.101
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: -7.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -89.447616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.447616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.447616 (E_RNA)
where:
Base-Base interactions energy: -33.453
where: short stacking energy: -33.453
Base-Backbone interact. energy: -0.094
local terms energy: -55.900788
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -7.126
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: 5
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -72.274662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.274662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.274662 (E_RNA)
where:
Base-Base interactions energy: -19.037
where: short stacking energy: -17.227
Base-Backbone interact. energy: -0.095
local terms energy: -53.142422
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -11.880
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: -0.914
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: 3
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -231.072315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.072315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.072315 (E_RNA)
where:
Base-Base interactions energy: -151.136
where: short stacking energy: -74.629
Base-Backbone interact. energy: -0.001
local terms energy: -79.935295
where:
bonds (distance) C4'-P energy: -14.178
bonds (distance) P-C4' energy: -16.201
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -12.604
tors. eta vs tors. theta energy: -20.732
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: 325
Temperature: 0.950000
Total energy: -224.410915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.410915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.410915 (E_RNA)
where:
Base-Base interactions energy: -142.402
where: short stacking energy: -72.868
Base-Backbone interact. energy: 0.108
local terms energy: -82.116716
where:
bonds (distance) C4'-P energy: -15.841
bonds (distance) P-C4' energy: -13.466
flat angles C4'-P-C4' energy: -18.334
flat angles P-C4'-P energy: -14.482
tors. eta vs tors. theta energy: -19.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -214.442740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.442740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.442740 (E_RNA)
where:
Base-Base interactions energy: -146.072
where: short stacking energy: -64.876
Base-Backbone interact. energy: -0.075
local terms energy: -68.296054
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -8.035
tors. eta vs tors. theta energy: -19.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -214.381956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.381956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.381956 (E_RNA)
where:
Base-Base interactions energy: -146.283
where: short stacking energy: -74.046
Base-Backbone interact. energy: -0.007
local terms energy: -68.091603
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -10.691
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -7.849
tors. eta vs tors. theta energy: -20.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -188.775787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.775787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.775787 (E_RNA)
where:
Base-Base interactions energy: -125.969
where: short stacking energy: -58.750
Base-Backbone interact. energy: -0.047
local terms energy: -62.760205
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -13.996
flat angles C4'-P-C4' energy: -11.324
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -14.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -213.693280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.693280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.693280 (E_RNA)
where:
Base-Base interactions energy: -145.289
where: short stacking energy: -58.983
Base-Backbone interact. energy: -0.166
local terms energy: -68.238234
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -9.789
flat angles P-C4'-P energy: -11.163
tors. eta vs tors. theta energy: -13.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -182.571319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.571319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.571319 (E_RNA)
where:
Base-Base interactions energy: -119.995
where: short stacking energy: -58.270
Base-Backbone interact. energy: -0.002
local terms energy: -62.574109
where:
bonds (distance) C4'-P energy: -10.066
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -6.377
tors. eta vs tors. theta energy: -16.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -79.968483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.968483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.968483 (E_RNA)
where:
Base-Base interactions energy: -29.418
where: short stacking energy: -29.418
Base-Backbone interact. energy: -0.268
local terms energy: -50.283200
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -14.910
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -3.904
tors. eta vs tors. theta energy: -1.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -81.779313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.779313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.779313 (E_RNA)
where:
Base-Base interactions energy: -22.426
where: short stacking energy: -18.984
Base-Backbone interact. energy: -0.097
local terms energy: -59.256407
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -12.585
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -11.399
tors. eta vs tors. theta energy: -8.516
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: 10, replica: 5
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -82.772302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.772302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.772302 (E_RNA)
where:
Base-Base interactions energy: -36.545
where: short stacking energy: -33.653
Base-Backbone interact. energy: -0.081
local terms energy: -46.146184
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -11.179
flat angles C4'-P-C4' energy: -12.279
flat angles P-C4'-P energy: -7.075
tors. eta vs tors. theta energy: -2.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -239.856604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.856604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.856604 (E_RNA)
where:
Base-Base interactions energy: -160.379
where: short stacking energy: -79.015
Base-Backbone interact. energy: -0.097
local terms energy: -79.379697
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -16.847
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -21.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -224.368245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.368245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.368245 (E_RNA)
where:
Base-Base interactions energy: -149.953
where: short stacking energy: -63.510
Base-Backbone interact. energy: -0.086
local terms energy: -74.329527
where:
bonds (distance) C4'-P energy: -16.623
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -11.448
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: 3, replica: 8
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -220.051215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.051215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.051215 (E_RNA)
where:
Base-Base interactions energy: -144.278
where: short stacking energy: -72.510
Base-Backbone interact. energy: -0.638
local terms energy: -75.135682
where:
bonds (distance) C4'-P energy: -12.063
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -21.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -214.088218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.088218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.088218 (E_RNA)
where:
Base-Base interactions energy: -140.814
where: short stacking energy: -63.516
Base-Backbone interact. energy: -0.022
local terms energy: -73.252371
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -20.490
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: 5, replica: 7
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -222.817325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.817325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.817325 (E_RNA)
where:
Base-Base interactions energy: -153.368
where: short stacking energy: -67.063
Base-Backbone interact. energy: -0.632
local terms energy: -68.817245
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -12.335
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -17.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -199.543706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.543706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.543706 (E_RNA)
where:
Base-Base interactions energy: -133.732
where: short stacking energy: -67.370
Base-Backbone interact. energy: 0.034
local terms energy: -65.845382
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -12.529
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -18.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -137.177422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.177422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.177422 (E_RNA)
where:
Base-Base interactions energy: -78.883
where: short stacking energy: -33.666
Base-Backbone interact. energy: -0.180
local terms energy: -58.114427
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -15.108
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -3.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -84.188052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.188052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.188052 (E_RNA)
where:
Base-Base interactions energy: -33.319
where: short stacking energy: -25.664
Base-Backbone interact. energy: 0.320
local terms energy: -51.188692
where:
bonds (distance) C4'-P energy: -14.837
bonds (distance) P-C4' energy: -13.894
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -4.859
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: 9, replica: 5
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -93.502157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.502157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.502157 (E_RNA)
where:
Base-Base interactions energy: -32.935
where: short stacking energy: -32.935
Base-Backbone interact. energy: -0.021
local terms energy: -60.546031
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -14.210
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: -5.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -81.994365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.994365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.994365 (E_RNA)
where:
Base-Base interactions energy: -29.222
where: short stacking energy: -24.724
Base-Backbone interact. energy: -0.173
local terms energy: -52.599592
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -9.211
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -5.597
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: 1, replica: 2
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -221.906480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.906480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.906480 (E_RNA)
where:
Base-Base interactions energy: -149.353
where: short stacking energy: -65.118
Base-Backbone interact. energy: -0.761
local terms energy: -71.791979
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -16.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -228.266220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.266220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.266220 (E_RNA)
where:
Base-Base interactions energy: -149.153
where: short stacking energy: -75.673
Base-Backbone interact. energy: -1.425
local terms energy: -77.687792
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -23.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -221.799629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.799629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.799629 (E_RNA)
where:
Base-Base interactions energy: -142.478
where: short stacking energy: -65.630
Base-Backbone interact. energy: -0.010
local terms energy: -79.311650
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -12.674
tors. eta vs tors. theta energy: -20.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -222.407090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.407090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.407090 (E_RNA)
where:
Base-Base interactions energy: -141.951
where: short stacking energy: -69.807
Base-Backbone interact. energy: -0.286
local terms energy: -80.170888
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -16.959
flat angles P-C4'-P energy: -11.348
tors. eta vs tors. theta energy: -19.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -212.139957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.139957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.139957 (E_RNA)
where:
Base-Base interactions energy: -145.251
where: short stacking energy: -64.444
Base-Backbone interact. energy: -0.010
local terms energy: -66.879105
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -9.313
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -16.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -205.476235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.476235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.476235 (E_RNA)
where:
Base-Base interactions energy: -132.645
where: short stacking energy: -72.043
Base-Backbone interact. energy: -0.241
local terms energy: -72.590487
where:
bonds (distance) C4'-P energy: -14.718
bonds (distance) P-C4' energy: -10.326
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -12.745
tors. eta vs tors. theta energy: -20.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -81.425620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.425620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.425620 (E_RNA)
where:
Base-Base interactions energy: -29.044
where: short stacking energy: -27.472
Base-Backbone interact. energy: -0.079
local terms energy: -52.302913
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -12.548
flat angles P-C4'-P energy: -6.289
tors. eta vs tors. theta energy: -4.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -87.082895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.082895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.082895 (E_RNA)
where:
Base-Base interactions energy: -46.298
where: short stacking energy: -20.407
Base-Backbone interact. energy: -1.328
local terms energy: -39.457056
where:
bonds (distance) C4'-P energy: -9.132
bonds (distance) P-C4' energy: -12.105
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -6.180
tors. eta vs tors. theta energy: 2.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -80.062899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.062899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.062899 (E_RNA)
where:
Base-Base interactions energy: -31.828
where: short stacking energy: -28.383
Base-Backbone interact. energy: 1.890
local terms energy: -50.124754
where:
bonds (distance) C4'-P energy: -10.570
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -2.776
tors. eta vs tors. theta energy: -5.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -80.395404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.395404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.395404 (E_RNA)
where:
Base-Base interactions energy: -26.959
where: short stacking energy: -18.503
Base-Backbone interact. energy: -0.270
local terms energy: -53.167186
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -2.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -230.031402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.031402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.031402 (E_RNA)
where:
Base-Base interactions energy: -148.607
where: short stacking energy: -75.009
Base-Backbone interact. energy: -0.002
local terms energy: -81.422184
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -12.617
tors. eta vs tors. theta energy: -23.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -232.244683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.244683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.244683 (E_RNA)
where:
Base-Base interactions energy: -151.397
where: short stacking energy: -71.734
Base-Backbone interact. energy: -0.268
local terms energy: -80.579709
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -15.858
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -21.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -226.732188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.732188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.732188 (E_RNA)
where:
Base-Base interactions energy: -146.751
where: short stacking energy: -68.872
Base-Backbone interact. energy: -0.001
local terms energy: -79.980932
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -12.123
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -13.900
tors. eta vs tors. theta energy: -20.623
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: 7
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -212.717346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.717346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.717346 (E_RNA)
where:
Base-Base interactions energy: -145.849
where: short stacking energy: -73.970
Base-Backbone interact. energy: -0.175
local terms energy: -66.692798
where:
bonds (distance) C4'-P energy: -6.716
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -20.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -220.511738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.511738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.511738 (E_RNA)
where:
Base-Base interactions energy: -143.455
where: short stacking energy: -62.097
Base-Backbone interact. energy: -1.077
local terms energy: -75.979620
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -17.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -210.363278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.363278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.363278 (E_RNA)
where:
Base-Base interactions energy: -137.867
where: short stacking energy: -60.906
Base-Backbone interact. energy: -0.374
local terms energy: -72.121504
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -13.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -94.714771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.714771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.714771 (E_RNA)
where:
Base-Base interactions energy: -47.044
where: short stacking energy: -33.731
Base-Backbone interact. energy: -0.320
local terms energy: -47.350907
where:
bonds (distance) C4'-P energy: -10.939
bonds (distance) P-C4' energy: -17.239
flat angles C4'-P-C4' energy: -10.708
flat angles P-C4'-P energy: -5.340
tors. eta vs tors. theta energy: -3.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -82.061453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.061453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.061453 (E_RNA)
where:
Base-Base interactions energy: -32.178
where: short stacking energy: -24.737
Base-Backbone interact. energy: -0.121
local terms energy: -49.763167
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -14.004
flat angles P-C4'-P energy: -6.079
tors. eta vs tors. theta energy: -1.652
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: 1
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -139.377186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.377186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.377186 (E_RNA)
where:
Base-Base interactions energy: -77.275
where: short stacking energy: -38.695
Base-Backbone interact. energy: -0.017
local terms energy: -62.085152
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -12.450
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -8.187
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: 5
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -74.164862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.164862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.164862 (E_RNA)
where:
Base-Base interactions energy: -30.737
where: short stacking energy: -30.737
Base-Backbone interact. energy: -0.057
local terms energy: -43.370807
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -6.571
flat angles C4'-P-C4' energy: -11.400
flat angles P-C4'-P energy: -9.694
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: 329
Temperature: 0.900000
Total energy: -227.329311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.329311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.329311 (E_RNA)
where:
Base-Base interactions energy: -153.321
where: short stacking energy: -72.057
Base-Backbone interact. energy: -0.569
local terms energy: -73.439148
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -12.513
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -10.613
tors. eta vs tors. theta energy: -21.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -225.169151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.169151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.169151 (E_RNA)
where:
Base-Base interactions energy: -147.358
where: short stacking energy: -71.562
Base-Backbone interact. energy: -0.382
local terms energy: -77.429332
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -17.751
flat angles P-C4'-P energy: -13.294
tors. eta vs tors. theta energy: -19.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -224.050981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.050981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.050981 (E_RNA)
where:
Base-Base interactions energy: -142.035
where: short stacking energy: -65.721
Base-Backbone interact. energy: -0.389
local terms energy: -81.627298
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -16.498
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: -18.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -213.167772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.167772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.167772 (E_RNA)
where:
Base-Base interactions energy: -138.819
where: short stacking energy: -67.099
Base-Backbone interact. energy: -0.008
local terms energy: -74.340430
where:
bonds (distance) C4'-P energy: -12.904
bonds (distance) P-C4' energy: -13.022
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -21.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -215.363817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.363817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.363817 (E_RNA)
where:
Base-Base interactions energy: -138.794
where: short stacking energy: -67.625
Base-Backbone interact. energy: 0.090
local terms energy: -76.659386
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -20.349
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: 6
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -209.402589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.402589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.402589 (E_RNA)
where:
Base-Base interactions energy: -139.594
where: short stacking energy: -58.822
Base-Backbone interact. energy: -0.138
local terms energy: -69.670605
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -13.742
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -12.864
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: 7, replica: 4
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -110.294148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.294148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.294148 (E_RNA)
where:
Base-Base interactions energy: -54.300
where: short stacking energy: -35.528
Base-Backbone interact. energy: -0.240
local terms energy: -55.754840
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -12.085
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -4.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -150.681725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.681725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.681725 (E_RNA)
where:
Base-Base interactions energy: -91.915
where: short stacking energy: -37.696
Base-Backbone interact. energy: -0.373
local terms energy: -58.394132
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -7.528
flat angles P-C4'-P energy: -6.448
tors. eta vs tors. theta energy: -9.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -83.799754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.799754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.799754 (E_RNA)
where:
Base-Base interactions energy: -29.006
where: short stacking energy: -29.006
Base-Backbone interact. energy: -0.070
local terms energy: -54.723808
where:
bonds (distance) C4'-P energy: -11.464
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -9.033
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -7.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -78.879728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.879728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.879728 (E_RNA)
where:
Base-Base interactions energy: -30.852
where: short stacking energy: -29.549
Base-Backbone interact. energy: -0.016
local terms energy: -48.010917
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -14.848
flat angles C4'-P-C4' energy: -9.238
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -2.422
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: 8
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -235.990396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.990396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.990396 (E_RNA)
where:
Base-Base interactions energy: -158.694
where: short stacking energy: -75.078
Base-Backbone interact. energy: -0.575
local terms energy: -76.721382
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -22.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -217.128612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.128612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.128612 (E_RNA)
where:
Base-Base interactions energy: -134.923
where: short stacking energy: -61.932
Base-Backbone interact. energy: -0.043
local terms energy: -82.162473
where:
bonds (distance) C4'-P energy: -16.060
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -17.449
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -20.587
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: 2
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -219.155727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.155727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.155727 (E_RNA)
where:
Base-Base interactions energy: -142.331
where: short stacking energy: -62.995
Base-Backbone interact. energy: -0.401
local terms energy: -76.423541
where:
bonds (distance) C4'-P energy: -17.394
bonds (distance) P-C4' energy: -15.570
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -11.450
tors. eta vs tors. theta energy: -17.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -219.815369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.815369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.815369 (E_RNA)
where:
Base-Base interactions energy: -145.448
where: short stacking energy: -65.975
Base-Backbone interact. energy: 0.436
local terms energy: -74.803076
where:
bonds (distance) C4'-P energy: -16.728
bonds (distance) P-C4' energy: -10.512
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -20.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -208.154924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.154924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.154924 (E_RNA)
where:
Base-Base interactions energy: -137.838
where: short stacking energy: -62.833
Base-Backbone interact. energy: -1.415
local terms energy: -68.901858
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -10.823
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -16.884
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: 6
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -187.244706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.244706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.244706 (E_RNA)
where:
Base-Base interactions energy: -128.906
where: short stacking energy: -68.920
Base-Backbone interact. energy: -0.008
local terms energy: -58.330558
where:
bonds (distance) C4'-P energy: -4.348
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -11.211
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -17.605
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: 1
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -149.483989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.483989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.483989 (E_RNA)
where:
Base-Base interactions energy: -95.737
where: short stacking energy: -46.513
Base-Backbone interact. energy: -0.080
local terms energy: -53.666950
where:
bonds (distance) C4'-P energy: -7.269
bonds (distance) P-C4' energy: -11.087
flat angles C4'-P-C4' energy: -11.728
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -12.895
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: 4
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -92.034780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.034780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.034780 (E_RNA)
where:
Base-Base interactions energy: -39.650
where: short stacking energy: -36.954
Base-Backbone interact. energy: 0.447
local terms energy: -52.831478
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -11.218
flat angles P-C4'-P energy: -7.323
tors. eta vs tors. theta energy: -5.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -75.974415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.974415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.974415 (E_RNA)
where:
Base-Base interactions energy: -33.418
where: short stacking energy: -33.150
Base-Backbone interact. energy: -0.269
local terms energy: -42.287594
where:
bonds (distance) C4'-P energy: -9.794
bonds (distance) P-C4' energy: -13.172
flat angles C4'-P-C4' energy: -8.395
flat angles P-C4'-P energy: -5.631
tors. eta vs tors. theta energy: -5.295
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: 10, replica: 9
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -76.958255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.958255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.958255 (E_RNA)
where:
Base-Base interactions energy: -23.099
where: short stacking energy: -21.211
Base-Backbone interact. energy: -0.004
local terms energy: -53.855302
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -10.613
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -5.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -230.307266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.307266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.307266 (E_RNA)
where:
Base-Base interactions energy: -153.053
where: short stacking energy: -75.439
Base-Backbone interact. energy: -0.002
local terms energy: -77.252167
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -11.399
tors. eta vs tors. theta energy: -20.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -226.847956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.847956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.847956 (E_RNA)
where:
Base-Base interactions energy: -144.235
where: short stacking energy: -69.646
Base-Backbone interact. energy: -0.007
local terms energy: -82.606235
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -21.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -229.342782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.342782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.342782 (E_RNA)
where:
Base-Base interactions energy: -149.729
where: short stacking energy: -72.523
Base-Backbone interact. energy: -0.333
local terms energy: -79.280033
where:
bonds (distance) C4'-P energy: -16.614
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -11.353
tors. eta vs tors. theta energy: -21.029
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: 331
Temperature: 1.050000
Total energy: -219.943588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.943588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.943588 (E_RNA)
where:
Base-Base interactions energy: -149.310
where: short stacking energy: -71.573
Base-Backbone interact. energy: -0.062
local terms energy: -70.571390
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -7.935
tors. eta vs tors. theta energy: -18.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -202.255360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.255360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.255360 (E_RNA)
where:
Base-Base interactions energy: -133.144
where: short stacking energy: -65.253
Base-Backbone interact. energy: -0.007
local terms energy: -69.104824
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -14.657
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -17.801
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: 6, replica: 1
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -168.291529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.291529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.291529 (E_RNA)
where:
Base-Base interactions energy: -104.737
where: short stacking energy: -46.319
Base-Backbone interact. energy: -0.110
local terms energy: -63.445080
where:
bonds (distance) C4'-P energy: -10.498
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -12.603
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -13.732
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: 331
Temperature: 1.200000
Total energy: -185.690407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.690407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.690407 (E_RNA)
where:
Base-Base interactions energy: -117.436
where: short stacking energy: -52.070
Base-Backbone interact. energy: -0.080
local terms energy: -68.174541
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -14.594
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -7.314
tors. eta vs tors. theta energy: -17.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -88.232483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.232483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.232483 (E_RNA)
where:
Base-Base interactions energy: -33.997
where: short stacking energy: -30.813
Base-Backbone interact. energy: 0.202
local terms energy: -54.438091
where:
bonds (distance) C4'-P energy: -8.494
bonds (distance) P-C4' energy: -14.577
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -9.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -86.277038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.277038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.277038 (E_RNA)
where:
Base-Base interactions energy: -38.298
where: short stacking energy: -32.451
Base-Backbone interact. energy: -0.093
local terms energy: -47.885847
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -6.829
flat angles C4'-P-C4' energy: -11.407
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: -2.749
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: 9
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -81.476849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.476849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.476849 (E_RNA)
where:
Base-Base interactions energy: -30.554
where: short stacking energy: -28.327
Base-Backbone interact. energy: -0.098
local terms energy: -50.824198
where:
bonds (distance) C4'-P energy: -7.593
bonds (distance) P-C4' energy: -18.119
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -8.827
tors. eta vs tors. theta energy: -2.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -220.860657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.860657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.860657 (E_RNA)
where:
Base-Base interactions energy: -143.983
where: short stacking energy: -63.597
Base-Backbone interact. energy: -0.750
local terms energy: -76.127189
where:
bonds (distance) C4'-P energy: -14.085
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -17.122
flat angles P-C4'-P energy: -12.362
tors. eta vs tors. theta energy: -18.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -230.298612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.298612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.298612 (E_RNA)
where:
Base-Base interactions energy: -146.646
where: short stacking energy: -69.863
Base-Backbone interact. energy: -0.046
local terms energy: -83.606325
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -18.149
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: -23.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -223.928128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.928128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.928128 (E_RNA)
where:
Base-Base interactions energy: -152.862
where: short stacking energy: -73.100
Base-Backbone interact. energy: -0.092
local terms energy: -70.973837
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -9.932
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: -19.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -216.221059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.221059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.221059 (E_RNA)
where:
Base-Base interactions energy: -144.705
where: short stacking energy: -71.712
Base-Backbone interact. energy: -0.088
local terms energy: -71.427934
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -18.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -195.709422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.709422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.709422 (E_RNA)
where:
Base-Base interactions energy: -119.860
where: short stacking energy: -64.448
Base-Backbone interact. energy: -0.062
local terms energy: -75.787077
where:
bonds (distance) C4'-P energy: -13.584
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -12.974
tors. eta vs tors. theta energy: -19.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -192.079426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.079426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.079426 (E_RNA)
where:
Base-Base interactions energy: -128.008
where: short stacking energy: -70.396
Base-Backbone interact. energy: -0.011
local terms energy: -64.060338
where:
bonds (distance) C4'-P energy: -13.849
bonds (distance) P-C4' energy: -12.284
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -4.808
tors. eta vs tors. theta energy: -20.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -187.572520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.572520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.572520 (E_RNA)
where:
Base-Base interactions energy: -120.982
where: short stacking energy: -58.351
Base-Backbone interact. energy: -0.005
local terms energy: -66.585605
where:
bonds (distance) C4'-P energy: -11.002
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -16.173
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: 8, replica: 5
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -100.459920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.459920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.459920 (E_RNA)
where:
Base-Base interactions energy: -43.033
where: short stacking energy: -39.168
Base-Backbone interact. energy: -0.037
local terms energy: -57.389481
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -9.221
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: -7.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -89.397060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.397060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.397060 (E_RNA)
where:
Base-Base interactions energy: -30.407
where: short stacking energy: -27.866
Base-Backbone interact. energy: -0.410
local terms energy: -58.579370
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -17.971
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -2.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -79.989528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.989528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.989528 (E_RNA)
where:
Base-Base interactions energy: -37.531
where: short stacking energy: -28.237
Base-Backbone interact. energy: -0.128
local terms energy: -42.330089
where:
bonds (distance) C4'-P energy: -10.154
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -8.964
flat angles P-C4'-P energy: -4.256
tors. eta vs tors. theta energy: -4.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -222.464665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.464665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.464665 (E_RNA)
where:
Base-Base interactions energy: -149.665
where: short stacking energy: -63.720
Base-Backbone interact. energy: -0.076
local terms energy: -72.723540
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -13.769
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -17.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -229.380980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.380980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.380980 (E_RNA)
where:
Base-Base interactions energy: -146.374
where: short stacking energy: -73.345
Base-Backbone interact. energy: -0.001
local terms energy: -83.005949
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -18.456
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -20.913
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: 8
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -223.834332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.834332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.834332 (E_RNA)
where:
Base-Base interactions energy: -142.738
where: short stacking energy: -67.067
Base-Backbone interact. energy: -0.492
local terms energy: -80.604397
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -14.183
tors. eta vs tors. theta energy: -20.578
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: 7
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -221.882454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.882454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.882454 (E_RNA)
where:
Base-Base interactions energy: -146.077
where: short stacking energy: -68.547
Base-Backbone interact. energy: -0.046
local terms energy: -75.759347
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -13.369
flat angles C4'-P-C4' energy: -15.223
flat angles P-C4'-P energy: -13.434
tors. eta vs tors. theta energy: -21.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -191.589446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.589446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.589446 (E_RNA)
where:
Base-Base interactions energy: -124.854
where: short stacking energy: -63.967
Base-Backbone interact. energy: -0.238
local terms energy: -66.496865
where:
bonds (distance) C4'-P energy: -10.385
bonds (distance) P-C4' energy: -13.382
flat angles C4'-P-C4' energy: -18.130
flat angles P-C4'-P energy: -5.297
tors. eta vs tors. theta energy: -19.303
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: 6
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -202.161042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.161042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.161042 (E_RNA)
where:
Base-Base interactions energy: -135.549
where: short stacking energy: -60.001
Base-Backbone interact. energy: -0.054
local terms energy: -66.557817
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -5.906
tors. eta vs tors. theta energy: -17.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -197.364573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.364573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.364573 (E_RNA)
where:
Base-Base interactions energy: -132.862
where: short stacking energy: -67.019
Base-Backbone interact. energy: -0.574
local terms energy: -63.928559
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -10.891
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -4.368
tors. eta vs tors. theta energy: -19.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -88.493431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.493431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.493431 (E_RNA)
where:
Base-Base interactions energy: -42.249
where: short stacking energy: -32.391
Base-Backbone interact. energy: -0.828
local terms energy: -45.416080
where:
bonds (distance) C4'-P energy: -9.222
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -7.230
tors. eta vs tors. theta energy: -1.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -94.443004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.443004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.443004 (E_RNA)
where:
Base-Base interactions energy: -45.075
where: short stacking energy: -38.859
Base-Backbone interact. energy: -0.067
local terms energy: -49.300854
where:
bonds (distance) C4'-P energy: -16.726
bonds (distance) P-C4' energy: -9.752
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -1.346
tors. eta vs tors. theta energy: -5.790
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: 4
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -91.135118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.135118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.135118 (E_RNA)
where:
Base-Base interactions energy: -45.995
where: short stacking energy: -29.760
Base-Backbone interact. energy: 0.413
local terms energy: -45.553033
where:
bonds (distance) C4'-P energy: -11.321
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -9.428
flat angles P-C4'-P energy: -4.704
tors. eta vs tors. theta energy: -4.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -230.992036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.992036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.992036 (E_RNA)
where:
Base-Base interactions energy: -151.601
where: short stacking energy: -70.343
Base-Backbone interact. energy: -0.486
local terms energy: -78.905379
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -17.045
flat angles P-C4'-P energy: -12.667
tors. eta vs tors. theta energy: -22.910
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: 3
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -226.530866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.530866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.530866 (E_RNA)
where:
Base-Base interactions energy: -149.210
where: short stacking energy: -67.463
Base-Backbone interact. energy: -0.334
local terms energy: -76.986655
where:
bonds (distance) C4'-P energy: -17.725
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -15.424
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -17.269
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: 334
Temperature: 1.000000
Total energy: -220.994959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.994959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.994959 (E_RNA)
where:
Base-Base interactions energy: -145.748
where: short stacking energy: -69.964
Base-Backbone interact. energy: -0.101
local terms energy: -75.146571
where:
bonds (distance) C4'-P energy: -16.137
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -12.501
flat angles P-C4'-P energy: -8.004
tors. eta vs tors. theta energy: -21.492
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: 8
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -213.174876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.174876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.174876 (E_RNA)
where:
Base-Base interactions energy: -143.581
where: short stacking energy: -72.711
Base-Backbone interact. energy: -0.217
local terms energy: -69.377296
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -10.193
flat angles C4'-P-C4' energy: -11.860
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -20.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -215.351077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.351077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.351077 (E_RNA)
where:
Base-Base interactions energy: -144.262
where: short stacking energy: -67.062
Base-Backbone interact. energy: -0.006
local terms energy: -71.082788
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -15.577
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -19.152
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: 334
Temperature: 1.150000
Total energy: -187.802501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.802501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.802501 (E_RNA)
where:
Base-Base interactions energy: -121.414
where: short stacking energy: -55.744
Base-Backbone interact. energy: -0.006
local terms energy: -66.382013
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -13.658
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -14.942
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: 7, replica: 10
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -186.230126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.230126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.230126 (E_RNA)
where:
Base-Base interactions energy: -125.345
where: short stacking energy: -57.914
Base-Backbone interact. energy: -1.674
local terms energy: -59.211382
where:
bonds (distance) C4'-P energy: -11.218
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -5.887
tors. eta vs tors. theta energy: -13.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -111.009635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.009635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.009635 (E_RNA)
where:
Base-Base interactions energy: -57.757
where: short stacking energy: -41.539
Base-Backbone interact. energy: 1.435
local terms energy: -54.687257
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -13.416
flat angles P-C4'-P energy: -5.157
tors. eta vs tors. theta energy: -7.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -86.963113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.963113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.963113 (E_RNA)
where:
Base-Base interactions energy: -37.117
where: short stacking energy: -37.117
Base-Backbone interact. energy: -0.177
local terms energy: -49.669867
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -8.764
flat angles P-C4'-P energy: -5.145
tors. eta vs tors. theta energy: -6.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -75.025083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.025083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.025083 (E_RNA)
where:
Base-Base interactions energy: -23.196
where: short stacking energy: -22.276
Base-Backbone interact. energy: -0.825
local terms energy: -51.003892
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -7.647
tors. eta vs tors. theta energy: -0.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -235.378799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.378799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.378799 (E_RNA)
where:
Base-Base interactions energy: -156.010
where: short stacking energy: -72.244
Base-Backbone interact. energy: -0.184
local terms energy: -79.185340
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -17.383
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -22.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -228.069995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.069995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.069995 (E_RNA)
where:
Base-Base interactions energy: -140.822
where: short stacking energy: -75.055
Base-Backbone interact. energy: -2.080
local terms energy: -85.167422
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -24.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -218.413909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.413909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.413909 (E_RNA)
where:
Base-Base interactions energy: -145.523
where: short stacking energy: -61.982
Base-Backbone interact. energy: -0.033
local terms energy: -72.857786
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -15.211
flat angles C4'-P-C4' energy: -18.397
flat angles P-C4'-P energy: -6.953
tors. eta vs tors. theta energy: -19.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -222.407191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.407191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.407191 (E_RNA)
where:
Base-Base interactions energy: -144.834
where: short stacking energy: -66.037
Base-Backbone interact. energy: -0.002
local terms energy: -77.571803
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -17.579
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -20.914
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: 8
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -219.088595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.088595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.088595 (E_RNA)
where:
Base-Base interactions energy: -142.267
where: short stacking energy: -66.892
Base-Backbone interact. energy: 1.769
local terms energy: -78.590218
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -18.400
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -17.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -211.771958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.771958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.771958 (E_RNA)
where:
Base-Base interactions energy: -142.801
where: short stacking energy: -68.363
Base-Backbone interact. energy: -0.002
local terms energy: -68.968139
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -18.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -173.388689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.388689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.388689 (E_RNA)
where:
Base-Base interactions energy: -111.117
where: short stacking energy: -53.364
Base-Backbone interact. energy: -0.002
local terms energy: -62.270031
where:
bonds (distance) C4'-P energy: -10.607
bonds (distance) P-C4' energy: -8.612
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -16.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -88.268902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.268902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.268902 (E_RNA)
where:
Base-Base interactions energy: -31.750
where: short stacking energy: -31.750
Base-Backbone interact. energy: -0.027
local terms energy: -56.491564
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -12.735
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -5.518
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: 9
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -87.899892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.899892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.899892 (E_RNA)
where:
Base-Base interactions energy: -46.956
where: short stacking energy: -35.227
Base-Backbone interact. energy: -0.044
local terms energy: -40.899990
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -10.189
flat angles C4'-P-C4' energy: -11.346
flat angles P-C4'-P energy: -4.692
tors. eta vs tors. theta energy: -1.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -83.789781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.789781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.789781 (E_RNA)
where:
Base-Base interactions energy: -29.671
where: short stacking energy: -28.550
Base-Backbone interact. energy: -0.233
local terms energy: -53.886011
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -11.148
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -4.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -229.712517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.712517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.712517 (E_RNA)
where:
Base-Base interactions energy: -151.628
where: short stacking energy: -77.441
Base-Backbone interact. energy: -1.335
local terms energy: -76.748985
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -23.981
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: 336
Temperature: 0.950000
Total energy: -228.844698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.844698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.844698 (E_RNA)
where:
Base-Base interactions energy: -145.763
where: short stacking energy: -77.433
Base-Backbone interact. energy: -0.212
local terms energy: -82.869220
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -12.268
tors. eta vs tors. theta energy: -21.756
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: 6
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -220.645124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.645124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.645124 (E_RNA)
where:
Base-Base interactions energy: -147.101
where: short stacking energy: -60.413
Base-Backbone interact. energy: -0.110
local terms energy: -73.434237
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -16.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -210.984316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.984316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.984316 (E_RNA)
where:
Base-Base interactions energy: -150.661
where: short stacking energy: -69.394
Base-Backbone interact. energy: 0.337
local terms energy: -60.660190
where:
bonds (distance) C4'-P energy: -10.679
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -15.317
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: 10
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -210.890668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.890668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.890668 (E_RNA)
where:
Base-Base interactions energy: -142.706
where: short stacking energy: -64.235
Base-Backbone interact. energy: -1.050
local terms energy: -67.134049
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -9.945
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -19.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -204.893090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.893090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.893090 (E_RNA)
where:
Base-Base interactions energy: -141.352
where: short stacking energy: -68.419
Base-Backbone interact. energy: -0.003
local terms energy: -63.537595
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -4.313
tors. eta vs tors. theta energy: -16.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -167.917271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.917271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.917271 (E_RNA)
where:
Base-Base interactions energy: -107.609
where: short stacking energy: -47.774
Base-Backbone interact. energy: -0.027
local terms energy: -60.280808
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -6.599
tors. eta vs tors. theta energy: -11.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -90.084074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.084074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.084074 (E_RNA)
where:
Base-Base interactions energy: -40.801
where: short stacking energy: -24.823
Base-Backbone interact. energy: -0.116
local terms energy: -49.167112
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -12.257
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: 0.142
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: 5
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -92.066260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.066260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.066260 (E_RNA)
where:
Base-Base interactions energy: -34.468
where: short stacking energy: -34.295
Base-Backbone interact. energy: -0.377
local terms energy: -57.221108
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -13.744
flat angles P-C4'-P energy: -6.906
tors. eta vs tors. theta energy: -6.735
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: 9
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -77.471720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.471720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.471720 (E_RNA)
where:
Base-Base interactions energy: -31.596
where: short stacking energy: -25.996
Base-Backbone interact. energy: -0.074
local terms energy: -45.802461
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -7.598
flat angles C4'-P-C4' energy: -12.533
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -1.967
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: 337
Temperature: 0.900000
Total energy: -225.996579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.996579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.996579 (E_RNA)
where:
Base-Base interactions energy: -156.530
where: short stacking energy: -74.554
Base-Backbone interact. energy: -0.006
local terms energy: -69.460266
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -12.756
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -20.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -233.613597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.613597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.613597 (E_RNA)
where:
Base-Base interactions energy: -150.070
where: short stacking energy: -75.664
Base-Backbone interact. energy: -0.000
local terms energy: -83.543155
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -13.737
tors. eta vs tors. theta energy: -23.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -219.722284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.722284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.722284 (E_RNA)
where:
Base-Base interactions energy: -146.693
where: short stacking energy: -63.311
Base-Backbone interact. energy: -0.716
local terms energy: -72.313493
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -11.201
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -18.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -225.864072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.864072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.864072 (E_RNA)
where:
Base-Base interactions energy: -145.523
where: short stacking energy: -74.046
Base-Backbone interact. energy: -0.352
local terms energy: -79.988777
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -21.195
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: 10
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -201.112826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.112826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.112826 (E_RNA)
where:
Base-Base interactions energy: -130.824
where: short stacking energy: -56.251
Base-Backbone interact. energy: -0.005
local terms energy: -70.284631
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -18.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -200.803843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.803843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.803843 (E_RNA)
where:
Base-Base interactions energy: -137.128
where: short stacking energy: -68.961
Base-Backbone interact. energy: -0.067
local terms energy: -63.608525
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -9.105
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -19.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -174.444305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.444305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.444305 (E_RNA)
where:
Base-Base interactions energy: -111.269
where: short stacking energy: -52.996
Base-Backbone interact. energy: -0.067
local terms energy: -63.107842
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -13.659
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -12.126
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: 4
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -87.916286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.916286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.916286 (E_RNA)
where:
Base-Base interactions energy: -36.296
where: short stacking energy: -32.448
Base-Backbone interact. energy: -0.022
local terms energy: -51.597981
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -7.559
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -4.529
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: 5
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -84.875169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.875169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.875169 (E_RNA)
where:
Base-Base interactions energy: -28.781
where: short stacking energy: -28.781
Base-Backbone interact. energy: -0.130
local terms energy: -55.964493
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -7.939
tors. eta vs tors. theta energy: -1.843
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: 9
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -83.065506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.065506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.065506 (E_RNA)
where:
Base-Base interactions energy: -32.166
where: short stacking energy: -32.166
Base-Backbone interact. energy: 0.123
local terms energy: -51.022497
where:
bonds (distance) C4'-P energy: -10.750
bonds (distance) P-C4' energy: -10.500
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -6.898
tors. eta vs tors. theta energy: -8.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -232.738409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.738409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.738409 (E_RNA)
where:
Base-Base interactions energy: -156.451
where: short stacking energy: -72.445
Base-Backbone interact. energy: -0.018
local terms energy: -76.269459
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -15.357
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -18.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -230.349390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.349390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.349390 (E_RNA)
where:
Base-Base interactions energy: -152.562
where: short stacking energy: -80.093
Base-Backbone interact. energy: -0.000
local terms energy: -77.786980
where:
bonds (distance) C4'-P energy: -14.474
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -16.956
flat angles P-C4'-P energy: -11.607
tors. eta vs tors. theta energy: -20.869
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: 6
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -217.507233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.507233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.507233 (E_RNA)
where:
Base-Base interactions energy: -143.229
where: short stacking energy: -69.287
Base-Backbone interact. energy: -0.631
local terms energy: -73.647380
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -12.141
tors. eta vs tors. theta energy: -19.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -218.587701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.587701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.587701 (E_RNA)
where:
Base-Base interactions energy: -140.657
where: short stacking energy: -73.860
Base-Backbone interact. energy: -0.307
local terms energy: -77.623028
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -20.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -214.983549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.983549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.983549 (E_RNA)
where:
Base-Base interactions energy: -142.276
where: short stacking energy: -61.392
Base-Backbone interact. energy: -0.002
local terms energy: -72.705257
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -9.765
flat angles C4'-P-C4' energy: -17.462
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -20.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -203.199930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.199930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.199930 (E_RNA)
where:
Base-Base interactions energy: -126.117
where: short stacking energy: -60.891
Base-Backbone interact. energy: -0.011
local terms energy: -77.071814
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -15.387
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -18.538
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: 1
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -185.842211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.842211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.842211 (E_RNA)
where:
Base-Base interactions energy: -117.489
where: short stacking energy: -55.301
Base-Backbone interact. energy: -0.001
local terms energy: -68.352435
where:
bonds (distance) C4'-P energy: -11.467
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -18.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -82.607866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.607866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.607866 (E_RNA)
where:
Base-Base interactions energy: -31.086
where: short stacking energy: -31.086
Base-Backbone interact. energy: -0.267
local terms energy: -51.254999
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -12.704
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -6.779
tors. eta vs tors. theta energy: -4.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -81.363392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.363392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.363392 (E_RNA)
where:
Base-Base interactions energy: -29.975
where: short stacking energy: -27.515
Base-Backbone interact. energy: -0.200
local terms energy: -51.187888
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -13.499
flat angles C4'-P-C4' energy: -10.825
flat angles P-C4'-P energy: -6.286
tors. eta vs tors. theta energy: -4.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -95.803573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.803573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.803573 (E_RNA)
where:
Base-Base interactions energy: -40.648
where: short stacking energy: -29.742
Base-Backbone interact. energy: -0.029
local terms energy: -55.126759
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -12.221
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -6.704
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: 2
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -228.829026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.829026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.829026 (E_RNA)
where:
Base-Base interactions energy: -145.912
where: short stacking energy: -70.809
Base-Backbone interact. energy: -0.004
local terms energy: -82.913202
where:
bonds (distance) C4'-P energy: -12.946
bonds (distance) P-C4' energy: -18.095
flat angles C4'-P-C4' energy: -17.091
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -23.233
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: 6
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -225.693107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.693107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.693107 (E_RNA)
where:
Base-Base interactions energy: -147.325
where: short stacking energy: -80.106
Base-Backbone interact. energy: -0.304
local terms energy: -78.063873
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -23.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -227.922897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.922897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.922897 (E_RNA)
where:
Base-Base interactions energy: -153.298
where: short stacking energy: -75.772
Base-Backbone interact. energy: -0.001
local terms energy: -74.624364
where:
bonds (distance) C4'-P energy: -15.629
bonds (distance) P-C4' energy: -11.463
flat angles C4'-P-C4' energy: -16.104
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -21.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -207.344454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.344454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.344454 (E_RNA)
where:
Base-Base interactions energy: -143.041
where: short stacking energy: -65.463
Base-Backbone interact. energy: -0.016
local terms energy: -64.287276
where:
bonds (distance) C4'-P energy: -10.468
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -16.009
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: -14.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -208.837461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.837461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.837461 (E_RNA)
where:
Base-Base interactions energy: -137.039
where: short stacking energy: -61.249
Base-Backbone interact. energy: -0.081
local terms energy: -71.717414
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -13.228
flat angles C4'-P-C4' energy: -17.418
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -16.438
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: 8
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -217.923217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.923217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.923217 (E_RNA)
where:
Base-Base interactions energy: -149.104
where: short stacking energy: -63.956
Base-Backbone interact. energy: -0.298
local terms energy: -68.521298
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -11.270
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -10.874
tors. eta vs tors. theta energy: -18.655
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: 1
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -163.099967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.099967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.099967 (E_RNA)
where:
Base-Base interactions energy: -100.395
where: short stacking energy: -43.921
Base-Backbone interact. energy: -0.012
local terms energy: -62.692677
where:
bonds (distance) C4'-P energy: -8.713
bonds (distance) P-C4' energy: -12.629
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -15.811
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: 9
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -87.456322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.456322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.456322 (E_RNA)
where:
Base-Base interactions energy: -30.274
where: short stacking energy: -29.585
Base-Backbone interact. energy: -0.358
local terms energy: -56.824518
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -7.774
tors. eta vs tors. theta energy: -3.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -77.482942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.482942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.482942 (E_RNA)
where:
Base-Base interactions energy: -28.310
where: short stacking energy: -28.310
Base-Backbone interact. energy: 1.490
local terms energy: -50.663434
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -5.780
tors. eta vs tors. theta energy: -2.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -75.976887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.976887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.976887 (E_RNA)
where:
Base-Base interactions energy: -22.700
where: short stacking energy: -16.265
Base-Backbone interact. energy: -0.163
local terms energy: -53.113325
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -12.585
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -4.443
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: 1, replica: 6
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -219.499620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.499620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.499620 (E_RNA)
where:
Base-Base interactions energy: -142.333
where: short stacking energy: -66.613
Base-Backbone interact. energy: -0.001
local terms energy: -77.164970
where:
bonds (distance) C4'-P energy: -16.221
bonds (distance) P-C4' energy: -15.978
flat angles C4'-P-C4' energy: -16.311
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -18.650
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: 2, replica: 2
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -224.007837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.007837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.007837 (E_RNA)
where:
Base-Base interactions energy: -146.617
where: short stacking energy: -73.099
Base-Backbone interact. energy: -0.060
local terms energy: -77.331037
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -12.161
tors. eta vs tors. theta energy: -19.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -222.797086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.797086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.797086 (E_RNA)
where:
Base-Base interactions energy: -144.993
where: short stacking energy: -70.549
Base-Backbone interact. energy: 1.202
local terms energy: -79.006116
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -24.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -200.650637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.650637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.650637 (E_RNA)
where:
Base-Base interactions energy: -122.453
where: short stacking energy: -62.348
Base-Backbone interact. energy: -0.051
local terms energy: -78.146430
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -16.492
flat angles P-C4'-P energy: -12.222
tors. eta vs tors. theta energy: -15.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -206.154139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.154139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.154139 (E_RNA)
where:
Base-Base interactions energy: -129.018
where: short stacking energy: -69.863
Base-Backbone interact. energy: -0.487
local terms energy: -76.649280
where:
bonds (distance) C4'-P energy: -7.628
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -13.193
tors. eta vs tors. theta energy: -20.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -204.279953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.279953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.279953 (E_RNA)
where:
Base-Base interactions energy: -139.877
where: short stacking energy: -70.187
Base-Backbone interact. energy: -0.968
local terms energy: -63.434794
where:
bonds (distance) C4'-P energy: -11.912
bonds (distance) P-C4' energy: -11.844
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -5.862
tors. eta vs tors. theta energy: -18.739
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: 1
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -156.674631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.674631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.674631 (E_RNA)
where:
Base-Base interactions energy: -100.177
where: short stacking energy: -56.521
Base-Backbone interact. energy: -0.492
local terms energy: -56.005002
where:
bonds (distance) C4'-P energy: -6.367
bonds (distance) P-C4' energy: -10.524
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -7.406
tors. eta vs tors. theta energy: -17.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -90.458260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.458260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.458260 (E_RNA)
where:
Base-Base interactions energy: -49.077
where: short stacking energy: -30.186
Base-Backbone interact. energy: 0.177
local terms energy: -41.558351
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -0.229
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -4.861
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: 9, replica: 5
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -91.951144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.951144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.951144 (E_RNA)
where:
Base-Base interactions energy: -43.177
where: short stacking energy: -32.849
Base-Backbone interact. energy: -0.452
local terms energy: -48.322855
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -11.980
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -1.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -74.224179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.224179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.224179 (E_RNA)
where:
Base-Base interactions energy: -23.527
where: short stacking energy: -23.527
Base-Backbone interact. energy: 1.018
local terms energy: -51.715062
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -9.619
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -8.781
tors. eta vs tors. theta energy: -5.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -238.956102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.956102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.956102 (E_RNA)
where:
Base-Base interactions energy: -162.034
where: short stacking energy: -76.119
Base-Backbone interact. energy: -0.005
local terms energy: -76.917038
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -10.192
flat angles C4'-P-C4' energy: -18.913
flat angles P-C4'-P energy: -13.408
tors. eta vs tors. theta energy: -19.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -230.247831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.247831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.247831 (E_RNA)
where:
Base-Base interactions energy: -153.354
where: short stacking energy: -74.075
Base-Backbone interact. energy: -0.066
local terms energy: -76.827941
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -17.027
flat angles P-C4'-P energy: -9.897
tors. eta vs tors. theta energy: -21.692
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: 10
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -215.449615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.449615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.449615 (E_RNA)
where:
Base-Base interactions energy: -141.074
where: short stacking energy: -65.074
Base-Backbone interact. energy: -0.005
local terms energy: -74.370132
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: -19.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -212.314479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.314479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.314479 (E_RNA)
where:
Base-Base interactions energy: -134.884
where: short stacking energy: -57.326
Base-Backbone interact. energy: -0.310
local terms energy: -77.120547
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -14.232
tors. eta vs tors. theta energy: -17.370
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: 7
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -203.398680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.398680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.398680 (E_RNA)
where:
Base-Base interactions energy: -138.915
where: short stacking energy: -68.009
Base-Backbone interact. energy: -0.245
local terms energy: -64.239061
where:
bonds (distance) C4'-P energy: -8.307
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -8.924
tors. eta vs tors. theta energy: -17.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -195.996986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.996986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.996986 (E_RNA)
where:
Base-Base interactions energy: -124.967
where: short stacking energy: -63.144
Base-Backbone interact. energy: -0.059
local terms energy: -70.971482
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -16.130
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: -15.531
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: 7, replica: 1
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -153.238535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.238535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.238535 (E_RNA)
where:
Base-Base interactions energy: -99.000
where: short stacking energy: -55.299
Base-Backbone interact. energy: -1.187
local terms energy: -53.051368
where:
bonds (distance) C4'-P energy: -6.203
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -6.870
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: 8, replica: 5
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -94.732867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.732867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.732867 (E_RNA)
where:
Base-Base interactions energy: -34.279
where: short stacking energy: -33.357
Base-Backbone interact. energy: -0.222
local terms energy: -60.231955
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -6.692
tors. eta vs tors. theta energy: -7.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -91.365609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.365609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.365609 (E_RNA)
where:
Base-Base interactions energy: -42.329
where: short stacking energy: -34.242
Base-Backbone interact. energy: 0.893
local terms energy: -49.930441
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -9.911
flat angles P-C4'-P energy: -7.707
tors. eta vs tors. theta energy: -6.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -77.125518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.125518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.125518 (E_RNA)
where:
Base-Base interactions energy: -38.647
where: short stacking energy: -31.924
Base-Backbone interact. energy: -0.314
local terms energy: -38.163886
where:
bonds (distance) C4'-P energy: -8.900
bonds (distance) P-C4' energy: -12.688
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -4.268
tors. eta vs tors. theta energy: 0.778
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: 1, replica: 2
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -233.485905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.485905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.485905 (E_RNA)
where:
Base-Base interactions energy: -152.884
where: short stacking energy: -73.870
Base-Backbone interact. energy: -0.017
local terms energy: -80.584649
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -14.429
flat angles C4'-P-C4' energy: -18.601
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: -21.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -223.156624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.156624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.156624 (E_RNA)
where:
Base-Base interactions energy: -151.596
where: short stacking energy: -70.922
Base-Backbone interact. energy: -0.084
local terms energy: -71.476117
where:
bonds (distance) C4'-P energy: -12.395
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -11.314
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -18.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -223.783152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.783152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.783152 (E_RNA)
where:
Base-Base interactions energy: -146.932
where: short stacking energy: -68.461
Base-Backbone interact. energy: 0.369
local terms energy: -77.220275
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -17.907
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -17.734
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: 4, replica: 10
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -207.774627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.774627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.774627 (E_RNA)
where:
Base-Base interactions energy: -134.436
where: short stacking energy: -70.633
Base-Backbone interact. energy: -0.818
local terms energy: -72.520346
where:
bonds (distance) C4'-P energy: -13.844
bonds (distance) P-C4' energy: -15.373
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -19.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -209.594199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.594199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.594199 (E_RNA)
where:
Base-Base interactions energy: -132.080
where: short stacking energy: -65.407
Base-Backbone interact. energy: -0.786
local terms energy: -76.727765
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -18.591
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -20.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -195.728039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.728039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.728039 (E_RNA)
where:
Base-Base interactions energy: -126.134
where: short stacking energy: -55.633
Base-Backbone interact. energy: -0.082
local terms energy: -69.512005
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -17.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -164.957723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.957723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.957723 (E_RNA)
where:
Base-Base interactions energy: -108.713
where: short stacking energy: -48.716
Base-Backbone interact. energy: -0.010
local terms energy: -56.235213
where:
bonds (distance) C4'-P energy: -10.769
bonds (distance) P-C4' energy: -9.968
flat angles C4'-P-C4' energy: -10.065
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -14.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -82.416398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.416398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.416398 (E_RNA)
where:
Base-Base interactions energy: -39.912
where: short stacking energy: -15.940
Base-Backbone interact. energy: 0.399
local terms energy: -42.904102
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -13.792
flat angles C4'-P-C4' energy: -11.490
flat angles P-C4'-P energy: -6.801
tors. eta vs tors. theta energy: 0.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -83.565790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.565790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.565790 (E_RNA)
where:
Base-Base interactions energy: -43.989
where: short stacking energy: -26.370
Base-Backbone interact. energy: -0.743
local terms energy: -38.833538
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -11.985
flat angles C4'-P-C4' energy: -9.848
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: 5.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -80.243993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.243993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.243993 (E_RNA)
where:
Base-Base interactions energy: -27.069
where: short stacking energy: -23.061
Base-Backbone interact. energy: -0.617
local terms energy: -52.557979
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -13.299
flat angles P-C4'-P energy: -11.399
tors. eta vs tors. theta energy: -0.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -231.455078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.455078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.455078 (E_RNA)
where:
Base-Base interactions energy: -148.359
where: short stacking energy: -78.634
Base-Backbone interact. energy: -0.280
local terms energy: -82.816344
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -12.245
tors. eta vs tors. theta energy: -22.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -228.046281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.046281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.046281 (E_RNA)
where:
Base-Base interactions energy: -155.372
where: short stacking energy: -71.157
Base-Backbone interact. energy: -0.632
local terms energy: -72.042526
where:
bonds (distance) C4'-P energy: -13.521
bonds (distance) P-C4' energy: -13.223
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -20.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -220.760000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.760000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.760000 (E_RNA)
where:
Base-Base interactions energy: -148.353
where: short stacking energy: -73.558
Base-Backbone interact. energy: -0.010
local terms energy: -72.396299
where:
bonds (distance) C4'-P energy: -11.769
bonds (distance) P-C4' energy: -14.472
flat angles C4'-P-C4' energy: -16.558
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -19.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -225.929229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.929229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.929229 (E_RNA)
where:
Base-Base interactions energy: -152.881
where: short stacking energy: -72.217
Base-Backbone interact. energy: -0.206
local terms energy: -72.842083
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -13.890
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -7.311
tors. eta vs tors. theta energy: -20.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -210.324906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.324906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.324906 (E_RNA)
where:
Base-Base interactions energy: -139.873
where: short stacking energy: -72.184
Base-Backbone interact. energy: 0.211
local terms energy: -70.663606
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -21.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -197.709078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.709078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.709078 (E_RNA)
where:
Base-Base interactions energy: -132.647
where: short stacking energy: -57.230
Base-Backbone interact. energy: -0.853
local terms energy: -64.209392
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -10.736
flat angles P-C4'-P energy: -9.534
tors. eta vs tors. theta energy: -15.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -168.390323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.390323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.390323 (E_RNA)
where:
Base-Base interactions energy: -109.851
where: short stacking energy: -46.327
Base-Backbone interact. energy: -0.469
local terms energy: -58.070132
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -12.166
flat angles P-C4'-P energy: -9.605
tors. eta vs tors. theta energy: -10.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -87.895449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.895449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.895449 (E_RNA)
where:
Base-Base interactions energy: -36.292
where: short stacking energy: -33.583
Base-Backbone interact. energy: -0.857
local terms energy: -50.745897
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -8.559
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -2.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -84.783150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.783150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.783150 (E_RNA)
where:
Base-Base interactions energy: -32.866
where: short stacking energy: -22.224
Base-Backbone interact. energy: -0.403
local terms energy: -51.514181
where:
bonds (distance) C4'-P energy: -13.641
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -12.554
flat angles P-C4'-P energy: -7.797
tors. eta vs tors. theta energy: -3.470
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: 10, replica: 4
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -80.582216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.582216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.582216 (E_RNA)
where:
Base-Base interactions energy: -31.422
where: short stacking energy: -26.976
Base-Backbone interact. energy: 3.103
local terms energy: -52.263471
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -13.159
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -6.700
tors. eta vs tors. theta energy: -1.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -232.688710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.688710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.688710 (E_RNA)
where:
Base-Base interactions energy: -149.856
where: short stacking energy: -76.044
Base-Backbone interact. energy: -0.001
local terms energy: -82.832099
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -21.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -227.737071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.737071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.737071 (E_RNA)
where:
Base-Base interactions energy: -144.371
where: short stacking energy: -69.899
Base-Backbone interact. energy: -0.327
local terms energy: -83.039374
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -18.423
flat angles C4'-P-C4' energy: -17.782
flat angles P-C4'-P energy: -13.267
tors. eta vs tors. theta energy: -19.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -222.482064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.482064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.482064 (E_RNA)
where:
Base-Base interactions energy: -145.641
where: short stacking energy: -71.285
Base-Backbone interact. energy: -0.029
local terms energy: -76.811867
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -18.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -218.464828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.464828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.464828 (E_RNA)
where:
Base-Base interactions energy: -144.040
where: short stacking energy: -70.834
Base-Backbone interact. energy: -0.380
local terms energy: -74.044487
where:
bonds (distance) C4'-P energy: -17.200
bonds (distance) P-C4' energy: -11.567
flat angles C4'-P-C4' energy: -16.314
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: -19.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -210.654771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.654771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.654771 (E_RNA)
where:
Base-Base interactions energy: -136.237
where: short stacking energy: -66.331
Base-Backbone interact. energy: -0.401
local terms energy: -74.016148
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -20.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -212.672642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.672642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.672642 (E_RNA)
where:
Base-Base interactions energy: -148.209
where: short stacking energy: -69.234
Base-Backbone interact. energy: -0.334
local terms energy: -64.130146
where:
bonds (distance) C4'-P energy: -9.061
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -5.218
tors. eta vs tors. theta energy: -18.543
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: 344
Temperature: 1.200000
Total energy: -143.471418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.471418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.471418 (E_RNA)
where:
Base-Base interactions energy: -85.679
where: short stacking energy: -43.599
Base-Backbone interact. energy: -0.024
local terms energy: -57.768003
where:
bonds (distance) C4'-P energy: -14.089
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -8.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -81.665713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.665713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.665713 (E_RNA)
where:
Base-Base interactions energy: -35.405
where: short stacking energy: -13.945
Base-Backbone interact. energy: -0.219
local terms energy: -46.041354
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -8.349
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: 0.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -86.642936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.642936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.642936 (E_RNA)
where:
Base-Base interactions energy: -33.147
where: short stacking energy: -32.455
Base-Backbone interact. energy: 0.352
local terms energy: -53.847455
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -10.078
flat angles C4'-P-C4' energy: -10.547
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -6.601
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: 10, replica: 4
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -89.688749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.688749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.688749 (E_RNA)
where:
Base-Base interactions energy: -45.895
where: short stacking energy: -32.831
Base-Backbone interact. energy: 1.223
local terms energy: -45.016758
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -10.456
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -4.963
tors. eta vs tors. theta energy: -1.822
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: 3
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -231.011339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.011339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.011339 (E_RNA)
where:
Base-Base interactions energy: -152.362
where: short stacking energy: -74.082
Base-Backbone interact. energy: -0.217
local terms energy: -78.432412
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -23.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -227.201358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.201358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.201358 (E_RNA)
where:
Base-Base interactions energy: -153.814
where: short stacking energy: -76.771
Base-Backbone interact. energy: -0.239
local terms energy: -73.147583
where:
bonds (distance) C4'-P energy: -12.437
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -21.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -213.107920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.107920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.107920 (E_RNA)
where:
Base-Base interactions energy: -139.416
where: short stacking energy: -66.549
Base-Backbone interact. energy: -0.001
local terms energy: -73.691120
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -10.798
tors. eta vs tors. theta energy: -16.742
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: 7
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -224.609238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.609238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.609238 (E_RNA)
where:
Base-Base interactions energy: -155.181
where: short stacking energy: -73.476
Base-Backbone interact. energy: -0.689
local terms energy: -68.739209
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -16.205
flat angles P-C4'-P energy: -6.977
tors. eta vs tors. theta energy: -18.089
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: 5, replica: 6
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -210.263162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.263162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.263162 (E_RNA)
where:
Base-Base interactions energy: -140.102
where: short stacking energy: -64.322
Base-Backbone interact. energy: -0.172
local terms energy: -69.989322
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -14.276
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -15.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -206.753323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.753323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.753323 (E_RNA)
where:
Base-Base interactions energy: -130.607
where: short stacking energy: -72.259
Base-Backbone interact. energy: -0.004
local terms energy: -76.141998
where:
bonds (distance) C4'-P energy: -17.196
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -18.838
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: 1
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -145.440736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.440736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.440736 (E_RNA)
where:
Base-Base interactions energy: -93.566
where: short stacking energy: -47.714
Base-Backbone interact. energy: -0.452
local terms energy: -51.422260
where:
bonds (distance) C4'-P energy: -6.167
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -11.250
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: -8.167
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: 8, replica: 9
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -87.927479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.927479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.927479 (E_RNA)
where:
Base-Base interactions energy: -32.818
where: short stacking energy: -32.818
Base-Backbone interact. energy: -0.188
local terms energy: -54.921201
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -8.659
flat angles P-C4'-P energy: -8.776
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: 9, replica: 5
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -86.535532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.535532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.535532 (E_RNA)
where:
Base-Base interactions energy: -32.153
where: short stacking energy: -32.153
Base-Backbone interact. energy: -0.002
local terms energy: -54.380536
where:
bonds (distance) C4'-P energy: -11.218
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -8.897
flat angles P-C4'-P energy: -6.387
tors. eta vs tors. theta energy: -9.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -86.402776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.402776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.402776 (E_RNA)
where:
Base-Base interactions energy: -44.454
where: short stacking energy: -32.881
Base-Backbone interact. energy: 1.210
local terms energy: -43.158107
where:
bonds (distance) C4'-P energy: -9.605
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -8.903
flat angles P-C4'-P energy: -5.768
tors. eta vs tors. theta energy: -2.885
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: 346
Temperature: 0.900000
Total energy: -237.293323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.293323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.293323 (E_RNA)
where:
Base-Base interactions energy: -158.542
where: short stacking energy: -77.826
Base-Backbone interact. energy: -0.830
local terms energy: -77.921275
where:
bonds (distance) C4'-P energy: -11.724
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -16.411
flat angles P-C4'-P energy: -12.467
tors. eta vs tors. theta energy: -19.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -221.834415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.834415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.834415 (E_RNA)
where:
Base-Base interactions energy: -146.851
where: short stacking energy: -71.797
Base-Backbone interact. energy: -0.001
local terms energy: -74.982810
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -21.034
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: 7
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -223.585540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.585540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.585540 (E_RNA)
where:
Base-Base interactions energy: -146.728
where: short stacking energy: -69.735
Base-Backbone interact. energy: -0.013
local terms energy: -76.844375
where:
bonds (distance) C4'-P energy: -13.906
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -13.026
tors. eta vs tors. theta energy: -19.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -216.275236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.275236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.275236 (E_RNA)
where:
Base-Base interactions energy: -145.203
where: short stacking energy: -66.445
Base-Backbone interact. energy: -0.100
local terms energy: -70.972357
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -11.791
flat angles C4'-P-C4' energy: -16.861
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: -17.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -208.215904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.215904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.215904 (E_RNA)
where:
Base-Base interactions energy: -134.888
where: short stacking energy: -61.425
Base-Backbone interact. energy: -0.316
local terms energy: -73.011343
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -9.546
tors. eta vs tors. theta energy: -19.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -201.983597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.983597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.983597 (E_RNA)
where:
Base-Base interactions energy: -131.657
where: short stacking energy: -64.618
Base-Backbone interact. energy: -0.005
local terms energy: -70.322209
where:
bonds (distance) C4'-P energy: -11.105
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -19.297
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: 7, replica: 1
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -162.321078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.321078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.321078 (E_RNA)
where:
Base-Base interactions energy: -104.490
where: short stacking energy: -39.734
Base-Backbone interact. energy: -0.564
local terms energy: -57.267300
where:
bonds (distance) C4'-P energy: -17.394
bonds (distance) P-C4' energy: -13.537
flat angles C4'-P-C4' energy: -15.448
flat angles P-C4'-P energy: -1.924
tors. eta vs tors. theta energy: -8.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -84.782083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.782083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.782083 (E_RNA)
where:
Base-Base interactions energy: -35.557
where: short stacking energy: -25.660
Base-Backbone interact. energy: -0.130
local terms energy: -49.095273
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -2.789
tors. eta vs tors. theta energy: -2.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -84.093278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.093278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.093278 (E_RNA)
where:
Base-Base interactions energy: -34.611
where: short stacking energy: -25.844
Base-Backbone interact. energy: -1.068
local terms energy: -48.414320
where:
bonds (distance) C4'-P energy: -9.123
bonds (distance) P-C4' energy: -13.650
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -7.103
tors. eta vs tors. theta energy: -4.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -86.343235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.343235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.343235 (E_RNA)
where:
Base-Base interactions energy: -33.964
where: short stacking energy: -22.467
Base-Backbone interact. energy: 0.002
local terms energy: -52.381519
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -12.061
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -8.574
tors. eta vs tors. theta energy: -2.688
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: 1, replica: 2
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -230.514315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.514315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.514315 (E_RNA)
where:
Base-Base interactions energy: -154.170
where: short stacking energy: -72.978
Base-Backbone interact. energy: -0.109
local terms energy: -76.235570
where:
bonds (distance) C4'-P energy: -11.444
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: -20.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -233.389123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.389123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.389123 (E_RNA)
where:
Base-Base interactions energy: -156.902
where: short stacking energy: -77.366
Base-Backbone interact. energy: -0.001
local terms energy: -76.485280
where:
bonds (distance) C4'-P energy: -9.938
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -16.851
flat angles P-C4'-P energy: -14.871
tors. eta vs tors. theta energy: -22.286
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: 3
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -219.753805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.753805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.753805 (E_RNA)
where:
Base-Base interactions energy: -146.315
where: short stacking energy: -72.447
Base-Backbone interact. energy: 0.610
local terms energy: -74.048222
where:
bonds (distance) C4'-P energy: -16.546
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -9.207
tors. eta vs tors. theta energy: -17.367
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: 8
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -218.795245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.795245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.795245 (E_RNA)
where:
Base-Base interactions energy: -144.580
where: short stacking energy: -63.181
Base-Backbone interact. energy: -0.096
local terms energy: -74.118917
where:
bonds (distance) C4'-P energy: -18.110
bonds (distance) P-C4' energy: -11.523
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -17.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -211.243815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.243815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.243815 (E_RNA)
where:
Base-Base interactions energy: -135.536
where: short stacking energy: -62.068
Base-Backbone interact. energy: -0.636
local terms energy: -75.071811
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -6.804
tors. eta vs tors. theta energy: -19.442
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: 6, replica: 10
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -199.708813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.708813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.708813 (E_RNA)
where:
Base-Base interactions energy: -134.514
where: short stacking energy: -62.263
Base-Backbone interact. energy: -0.868
local terms energy: -64.326566
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -11.557
flat angles P-C4'-P energy: -4.823
tors. eta vs tors. theta energy: -17.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -166.089930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.089930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.089930 (E_RNA)
where:
Base-Base interactions energy: -107.633
where: short stacking energy: -54.011
Base-Backbone interact. energy: -0.381
local terms energy: -58.076072
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -10.758
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: -9.763
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: 4
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -96.199065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.199065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.199065 (E_RNA)
where:
Base-Base interactions energy: -47.569
where: short stacking energy: -26.980
Base-Backbone interact. energy: -0.269
local terms energy: -48.360637
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -10.165
flat angles P-C4'-P energy: -6.560
tors. eta vs tors. theta energy: -2.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -92.458295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.458295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.458295 (E_RNA)
where:
Base-Base interactions energy: -36.762
where: short stacking energy: -35.987
Base-Backbone interact. energy: -0.078
local terms energy: -55.618081
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -14.723
flat angles C4'-P-C4' energy: -10.458
flat angles P-C4'-P energy: -8.071
tors. eta vs tors. theta energy: -9.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -76.449157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.449157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.449157 (E_RNA)
where:
Base-Base interactions energy: -27.788
where: short stacking energy: -27.788
Base-Backbone interact. energy: -0.172
local terms energy: -48.489086
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -11.687
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: 1.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -234.560418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.560418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.560418 (E_RNA)
where:
Base-Base interactions energy: -153.240
where: short stacking energy: -73.700
Base-Backbone interact. energy: -0.890
local terms energy: -80.429897
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -15.419
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: -21.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -217.378820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.378820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.378820 (E_RNA)
where:
Base-Base interactions energy: -141.340
where: short stacking energy: -65.537
Base-Backbone interact. energy: -0.342
local terms energy: -75.696370
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -12.244
tors. eta vs tors. theta energy: -18.062
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: 3
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -223.788834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.788834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.788834 (E_RNA)
where:
Base-Base interactions energy: -147.982
where: short stacking energy: -69.083
Base-Backbone interact. energy: -0.284
local terms energy: -75.522918
where:
bonds (distance) C4'-P energy: -10.770
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -20.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -212.290196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.290196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.290196 (E_RNA)
where:
Base-Base interactions energy: -133.547
where: short stacking energy: -66.500
Base-Backbone interact. energy: -0.002
local terms energy: -78.740258
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -18.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -203.258386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.258386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.258386 (E_RNA)
where:
Base-Base interactions energy: -132.726
where: short stacking energy: -59.817
Base-Backbone interact. energy: -0.004
local terms energy: -70.528357
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -12.238
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -16.833
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: 10
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -190.016143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.016143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.016143 (E_RNA)
where:
Base-Base interactions energy: -124.042
where: short stacking energy: -61.482
Base-Backbone interact. energy: -0.042
local terms energy: -65.932363
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -15.165
flat angles C4'-P-C4' energy: -8.594
flat angles P-C4'-P energy: -11.939
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: 7, replica: 1
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -153.810681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.810681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.810681 (E_RNA)
where:
Base-Base interactions energy: -95.516
where: short stacking energy: -47.566
Base-Backbone interact. energy: -0.243
local terms energy: -58.051709
where:
bonds (distance) C4'-P energy: -12.763
bonds (distance) P-C4' energy: -12.049
flat angles C4'-P-C4' energy: -17.772
flat angles P-C4'-P energy: -4.129
tors. eta vs tors. theta energy: -11.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -85.306842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.306842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.306842 (E_RNA)
where:
Base-Base interactions energy: -34.842
where: short stacking energy: -25.698
Base-Backbone interact. energy: -1.554
local terms energy: -48.911037
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -13.829
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -7.105
tors. eta vs tors. theta energy: 2.284
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: 5
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -78.759905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.759905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.759905 (E_RNA)
where:
Base-Base interactions energy: -30.765
where: short stacking energy: -30.765
Base-Backbone interact. energy: -0.018
local terms energy: -47.977346
where:
bonds (distance) C4'-P energy: -10.534
bonds (distance) P-C4' energy: -14.910
flat angles C4'-P-C4' energy: -10.399
flat angles P-C4'-P energy: -7.313
tors. eta vs tors. theta energy: -4.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -81.065077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.065077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.065077 (E_RNA)
where:
Base-Base interactions energy: -27.973
where: short stacking energy: -24.184
Base-Backbone interact. energy: -0.115
local terms energy: -52.977461
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -11.178
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -1.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -234.314547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.314547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.314547 (E_RNA)
where:
Base-Base interactions energy: -150.720
where: short stacking energy: -75.525
Base-Backbone interact. energy: -0.060
local terms energy: -83.533933
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -15.476
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -23.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -229.681157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.681157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.681157 (E_RNA)
where:
Base-Base interactions energy: -150.513
where: short stacking energy: -73.700
Base-Backbone interact. energy: -0.123
local terms energy: -79.044697
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -17.491
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -21.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -217.684473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.684473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.684473 (E_RNA)
where:
Base-Base interactions energy: -138.178
where: short stacking energy: -67.229
Base-Backbone interact. energy: -0.192
local terms energy: -79.314290
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -10.511
tors. eta vs tors. theta energy: -21.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -210.786729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.786729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.786729 (E_RNA)
where:
Base-Base interactions energy: -135.312
where: short stacking energy: -65.789
Base-Backbone interact. energy: -0.067
local terms energy: -75.407208
where:
bonds (distance) C4'-P energy: -10.981
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -19.054
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -20.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -201.571179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.571179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.571179 (E_RNA)
where:
Base-Base interactions energy: -137.924
where: short stacking energy: -60.475
Base-Backbone interact. energy: -0.005
local terms energy: -63.642022
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -11.161
flat angles P-C4'-P energy: -6.120
tors. eta vs tors. theta energy: -15.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -213.435775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.435775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.435775 (E_RNA)
where:
Base-Base interactions energy: -142.785
where: short stacking energy: -67.929
Base-Backbone interact. energy: -0.043
local terms energy: -70.607940
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -20.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -150.632712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.632712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.632712 (E_RNA)
where:
Base-Base interactions energy: -96.495
where: short stacking energy: -50.688
Base-Backbone interact. energy: -0.093
local terms energy: -54.044500
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -6.657
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -11.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -86.838882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.838882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.838882 (E_RNA)
where:
Base-Base interactions energy: -39.845
where: short stacking energy: -26.049
Base-Backbone interact. energy: -0.044
local terms energy: -46.949523
where:
bonds (distance) C4'-P energy: -9.467
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -7.054
tors. eta vs tors. theta energy: -3.350
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: 4
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -90.940740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.940740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.940740 (E_RNA)
where:
Base-Base interactions energy: -35.255
where: short stacking energy: -20.780
Base-Backbone interact. energy: -0.262
local terms energy: -55.423453
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -12.056
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -5.414
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: 9
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -78.176526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.176526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.176526 (E_RNA)
where:
Base-Base interactions energy: -26.816
where: short stacking energy: -22.772
Base-Backbone interact. energy: -0.076
local terms energy: -51.284289
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -11.198
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: 3
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -237.347426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.347426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.347426 (E_RNA)
where:
Base-Base interactions energy: -154.014
where: short stacking energy: -77.771
Base-Backbone interact. energy: -0.041
local terms energy: -83.292285
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -17.586
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -23.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -217.382694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.382694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.382694 (E_RNA)
where:
Base-Base interactions energy: -135.797
where: short stacking energy: -70.144
Base-Backbone interact. energy: -0.565
local terms energy: -81.020848
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -18.105
flat angles P-C4'-P energy: -13.684
tors. eta vs tors. theta energy: -21.282
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: 3, replica: 8
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -223.347234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.347234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.347234 (E_RNA)
where:
Base-Base interactions energy: -143.018
where: short stacking energy: -74.027
Base-Backbone interact. energy: 0.663
local terms energy: -80.992259
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -17.371
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: -20.395
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: 2
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -220.333104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.333104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.333104 (E_RNA)
where:
Base-Base interactions energy: -150.821
where: short stacking energy: -75.233
Base-Backbone interact. energy: -0.026
local terms energy: -69.485959
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -16.019
flat angles P-C4'-P energy: -7.135
tors. eta vs tors. theta energy: -17.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -218.038776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.038776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.038776 (E_RNA)
where:
Base-Base interactions energy: -146.339
where: short stacking energy: -65.888
Base-Backbone interact. energy: -0.624
local terms energy: -71.075885
where:
bonds (distance) C4'-P energy: -11.881
bonds (distance) P-C4' energy: -11.902
flat angles C4'-P-C4' energy: -17.106
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: -21.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -200.268086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.268086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.268086 (E_RNA)
where:
Base-Base interactions energy: -135.887
where: short stacking energy: -56.859
Base-Backbone interact. energy: -0.733
local terms energy: -63.648473
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -6.947
tors. eta vs tors. theta energy: -15.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -152.872701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.872701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.872701 (E_RNA)
where:
Base-Base interactions energy: -98.577
where: short stacking energy: -49.474
Base-Backbone interact. energy: -0.064
local terms energy: -54.232179
where:
bonds (distance) C4'-P energy: -9.172
bonds (distance) P-C4' energy: -15.838
flat angles C4'-P-C4' energy: -16.558
flat angles P-C4'-P energy: -4.537
tors. eta vs tors. theta energy: -8.127
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: 5
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -90.484817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.484817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.484817 (E_RNA)
where:
Base-Base interactions energy: -35.394
where: short stacking energy: -35.394
Base-Backbone interact. energy: -0.011
local terms energy: -55.080170
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -8.483
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -6.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -81.361956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.361956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.361956 (E_RNA)
where:
Base-Base interactions energy: -35.926
where: short stacking energy: -31.377
Base-Backbone interact. energy: -0.807
local terms energy: -44.628932
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -8.721
flat angles C4'-P-C4' energy: -11.397
flat angles P-C4'-P energy: -6.963
tors. eta vs tors. theta energy: -3.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -77.604786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.604786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.604786 (E_RNA)
where:
Base-Base interactions energy: -29.369
where: short stacking energy: -20.932
Base-Backbone interact. energy: -0.120
local terms energy: -48.115815
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -11.253
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: 3.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -232.481360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.481360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.481360 (E_RNA)
where:
Base-Base interactions energy: -150.055
where: short stacking energy: -70.928
Base-Backbone interact. energy: -0.000
local terms energy: -82.426477
where:
bonds (distance) C4'-P energy: -17.577
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: -20.465
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: 8
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -224.691958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.691958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.691958 (E_RNA)
where:
Base-Base interactions energy: -149.314
where: short stacking energy: -67.133
Base-Backbone interact. energy: -0.600
local terms energy: -74.778247
where:
bonds (distance) C4'-P energy: -11.646
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -20.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -228.282264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.282264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.282264 (E_RNA)
where:
Base-Base interactions energy: -149.999
where: short stacking energy: -72.477
Base-Backbone interact. energy: -0.007
local terms energy: -78.275744
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -21.142
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: 10
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -219.956642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.956642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.956642 (E_RNA)
where:
Base-Base interactions energy: -143.885
where: short stacking energy: -68.080
Base-Backbone interact. energy: -0.001
local terms energy: -76.071187
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -12.508
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -22.186
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: 2
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -210.190539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.190539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.190539 (E_RNA)
where:
Base-Base interactions energy: -139.299
where: short stacking energy: -64.960
Base-Backbone interact. energy: -0.237
local terms energy: -70.653828
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -13.294
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -17.763
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: 351
Temperature: 1.150000
Total energy: -192.552032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.552032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.552032 (E_RNA)
where:
Base-Base interactions energy: -128.202
where: short stacking energy: -60.056
Base-Backbone interact. energy: -0.725
local terms energy: -63.625206
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -8.919
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -17.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -166.230859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.230859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.230859 (E_RNA)
where:
Base-Base interactions energy: -101.825
where: short stacking energy: -57.337
Base-Backbone interact. energy: -2.397
local terms energy: -62.008546
where:
bonds (distance) C4'-P energy: -7.520
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -14.168
tors. eta vs tors. theta energy: -9.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -90.997631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.997631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.997631 (E_RNA)
where:
Base-Base interactions energy: -33.855
where: short stacking energy: -30.874
Base-Backbone interact. energy: 0.041
local terms energy: -57.183008
where:
bonds (distance) C4'-P energy: -10.311
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -10.470
flat angles P-C4'-P energy: -12.462
tors. eta vs tors. theta energy: -7.458
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: 9, replica: 5
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -85.354212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.354212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.354212 (E_RNA)
where:
Base-Base interactions energy: -32.223
where: short stacking energy: -22.547
Base-Backbone interact. energy: -0.046
local terms energy: -53.085520
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -13.391
tors. eta vs tors. theta energy: 2.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -72.680518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.680518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.680518 (E_RNA)
where:
Base-Base interactions energy: -32.737
where: short stacking energy: -32.669
Base-Backbone interact. energy: -0.091
local terms energy: -39.852544
where:
bonds (distance) C4'-P energy: -11.205
bonds (distance) P-C4' energy: -10.337
flat angles C4'-P-C4' energy: -8.718
flat angles P-C4'-P energy: -7.772
tors. eta vs tors. theta energy: -1.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -233.331653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.331653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.331653 (E_RNA)
where:
Base-Base interactions energy: -155.937
where: short stacking energy: -72.992
Base-Backbone interact. energy: -0.316
local terms energy: -77.078292
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: -21.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -229.847642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.847642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.847642 (E_RNA)
where:
Base-Base interactions energy: -150.495
where: short stacking energy: -73.812
Base-Backbone interact. energy: -0.162
local terms energy: -79.190011
where:
bonds (distance) C4'-P energy: -16.768
bonds (distance) P-C4' energy: -13.133
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -11.699
tors. eta vs tors. theta energy: -21.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -219.732252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.732252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.732252 (E_RNA)
where:
Base-Base interactions energy: -149.019
where: short stacking energy: -68.553
Base-Backbone interact. energy: -1.128
local terms energy: -69.585086
where:
bonds (distance) C4'-P energy: -9.508
bonds (distance) P-C4' energy: -14.249
flat angles C4'-P-C4' energy: -16.816
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -18.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -216.893588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.893588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.893588 (E_RNA)
where:
Base-Base interactions energy: -144.357
where: short stacking energy: -68.388
Base-Backbone interact. energy: -0.000
local terms energy: -72.535757
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -21.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -219.202349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.202349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.202349 (E_RNA)
where:
Base-Base interactions energy: -142.391
where: short stacking energy: -63.111
Base-Backbone interact. energy: 3.039
local terms energy: -79.851055
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -13.310
tors. eta vs tors. theta energy: -18.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -202.781381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.781381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.781381 (E_RNA)
where:
Base-Base interactions energy: -136.576
where: short stacking energy: -67.383
Base-Backbone interact. energy: -0.000
local terms energy: -66.205398
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -7.457
tors. eta vs tors. theta energy: -15.473
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: 7, replica: 1
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -149.860321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.860321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.860321 (E_RNA)
where:
Base-Base interactions energy: -99.495
where: short stacking energy: -44.413
Base-Backbone interact. energy: -0.399
local terms energy: -49.965924
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -9.946
flat angles C4'-P-C4' energy: -11.548
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -4.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -89.057715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.057715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.057715 (E_RNA)
where:
Base-Base interactions energy: -33.660
where: short stacking energy: -32.670
Base-Backbone interact. energy: -0.069
local terms energy: -55.328636
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -12.492
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -6.460
tors. eta vs tors. theta energy: -7.333
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: 9, replica: 9
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -89.759448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.759448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.759448 (E_RNA)
where:
Base-Base interactions energy: -41.366
where: short stacking energy: -32.648
Base-Backbone interact. energy: 0.239
local terms energy: -48.632566
where:
bonds (distance) C4'-P energy: -11.268
bonds (distance) P-C4' energy: -11.913
flat angles C4'-P-C4' energy: -9.607
flat angles P-C4'-P energy: -8.461
tors. eta vs tors. theta energy: -7.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -91.057224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.057224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.057224 (E_RNA)
where:
Base-Base interactions energy: -39.726
where: short stacking energy: -37.402
Base-Backbone interact. energy: -0.034
local terms energy: -51.297998
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -8.290
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: -2.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -229.816521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.816521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.816521 (E_RNA)
where:
Base-Base interactions energy: -152.032
where: short stacking energy: -73.054
Base-Backbone interact. energy: -0.030
local terms energy: -77.754923
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -18.856
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -19.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -226.566344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.566344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.566344 (E_RNA)
where:
Base-Base interactions energy: -155.259
where: short stacking energy: -74.484
Base-Backbone interact. energy: -0.003
local terms energy: -71.304411
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: -21.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -223.678240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.678240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.678240 (E_RNA)
where:
Base-Base interactions energy: -147.181
where: short stacking energy: -67.472
Base-Backbone interact. energy: -0.000
local terms energy: -76.497228
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -18.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -217.537651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.537651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.537651 (E_RNA)
where:
Base-Base interactions energy: -146.611
where: short stacking energy: -73.787
Base-Backbone interact. energy: -0.000
local terms energy: -70.926029
where:
bonds (distance) C4'-P energy: -9.788
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -20.876
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: 353
Temperature: 1.100000
Total energy: -216.957651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.957651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.957651 (E_RNA)
where:
Base-Base interactions energy: -141.895
where: short stacking energy: -64.688
Base-Backbone interact. energy: -0.107
local terms energy: -74.955537
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -19.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -208.488603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.488603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.488603 (E_RNA)
where:
Base-Base interactions energy: -143.555
where: short stacking energy: -63.452
Base-Backbone interact. energy: 0.772
local terms energy: -65.706332
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -13.285
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -19.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -143.111868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.111868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.111868 (E_RNA)
where:
Base-Base interactions energy: -87.423
where: short stacking energy: -44.411
Base-Backbone interact. energy: -0.183
local terms energy: -55.506564
where:
bonds (distance) C4'-P energy: -9.677
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -7.551
tors. eta vs tors. theta energy: -7.709
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: 9
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -89.442589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.442589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.442589 (E_RNA)
where:
Base-Base interactions energy: -36.515
where: short stacking energy: -22.143
Base-Backbone interact. energy: -0.183
local terms energy: -52.745121
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -1.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -80.882087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.882087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.882087 (E_RNA)
where:
Base-Base interactions energy: -41.193
where: short stacking energy: -32.690
Base-Backbone interact. energy: -1.402
local terms energy: -38.286582
where:
bonds (distance) C4'-P energy: -10.377
bonds (distance) P-C4' energy: -8.897
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -5.690
tors. eta vs tors. theta energy: -0.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -83.553486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.553486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.553486 (E_RNA)
where:
Base-Base interactions energy: -37.912
where: short stacking energy: -30.415
Base-Backbone interact. energy: -0.158
local terms energy: -45.483999
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -2.871
flat angles P-C4'-P energy: -8.685
tors. eta vs tors. theta energy: -4.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -231.462097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.462097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.462097 (E_RNA)
where:
Base-Base interactions energy: -148.274
where: short stacking energy: -74.676
Base-Backbone interact. energy: -0.057
local terms energy: -83.131641
where:
bonds (distance) C4'-P energy: -15.379
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -18.028
flat angles P-C4'-P energy: -11.709
tors. eta vs tors. theta energy: -21.800
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: 2, replica: 8
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -220.609982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.609982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.609982 (E_RNA)
where:
Base-Base interactions energy: -141.261
where: short stacking energy: -69.627
Base-Backbone interact. energy: -0.002
local terms energy: -79.346199
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -15.196
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -14.155
tors. eta vs tors. theta energy: -22.158
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: 354
Temperature: 1.000000
Total energy: -223.545098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.545098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.545098 (E_RNA)
where:
Base-Base interactions energy: -147.263
where: short stacking energy: -73.203
Base-Backbone interact. energy: -0.356
local terms energy: -75.925720
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -16.803
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -20.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -227.466074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.466074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.466074 (E_RNA)
where:
Base-Base interactions energy: -149.217
where: short stacking energy: -73.698
Base-Backbone interact. energy: -0.167
local terms energy: -78.081858
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -16.500
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -21.057
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: 354
Temperature: 1.100000
Total energy: -222.662011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.662011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.662011 (E_RNA)
where:
Base-Base interactions energy: -138.591
where: short stacking energy: -67.260
Base-Backbone interact. energy: 0.232
local terms energy: -84.303459
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -13.735
tors. eta vs tors. theta energy: -19.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -209.245016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.245016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.245016 (E_RNA)
where:
Base-Base interactions energy: -132.595
where: short stacking energy: -67.882
Base-Backbone interact. energy: -0.083
local terms energy: -76.567705
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -22.207
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: 354
Temperature: 1.200000
Total energy: -180.376166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.376166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.376166 (E_RNA)
where:
Base-Base interactions energy: -111.145
where: short stacking energy: -56.982
Base-Backbone interact. energy: -0.431
local terms energy: -68.801071
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: -14.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -88.571596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.571596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.571596 (E_RNA)
where:
Base-Base interactions energy: -41.417
where: short stacking energy: -36.921
Base-Backbone interact. energy: 0.068
local terms energy: -47.222141
where:
bonds (distance) C4'-P energy: -11.377
bonds (distance) P-C4' energy: -8.227
flat angles C4'-P-C4' energy: -12.136
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -6.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -75.545313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.545313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.545313 (E_RNA)
where:
Base-Base interactions energy: -24.649
where: short stacking energy: -22.418
Base-Backbone interact. energy: -0.124
local terms energy: -50.772906
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -13.498
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: 0.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -77.330964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.330964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.330964 (E_RNA)
where:
Base-Base interactions energy: -35.454
where: short stacking energy: -19.981
Base-Backbone interact. energy: -0.215
local terms energy: -41.662029
where:
bonds (distance) C4'-P energy: -17.178
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -8.403
flat angles P-C4'-P energy: -4.123
tors. eta vs tors. theta energy: 2.797
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: 3
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -231.399579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.399579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.399579 (E_RNA)
where:
Base-Base interactions energy: -148.544
where: short stacking energy: -76.400
Base-Backbone interact. energy: -0.065
local terms energy: -82.790904
where:
bonds (distance) C4'-P energy: -15.592
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -16.892
flat angles P-C4'-P energy: -13.693
tors. eta vs tors. theta energy: -22.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -229.002497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.002497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.002497 (E_RNA)
where:
Base-Base interactions energy: -157.720
where: short stacking energy: -74.473
Base-Backbone interact. energy: -0.000
local terms energy: -71.282124
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -12.464
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -7.886
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: 3, replica: 7
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -219.954727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.954727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.954727 (E_RNA)
where:
Base-Base interactions energy: -144.512
where: short stacking energy: -67.579
Base-Backbone interact. energy: -0.715
local terms energy: -74.727236
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -17.909
flat angles P-C4'-P energy: -7.201
tors. eta vs tors. theta energy: -17.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -224.836218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.836218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.836218 (E_RNA)
where:
Base-Base interactions energy: -153.273
where: short stacking energy: -75.104
Base-Backbone interact. energy: -0.059
local terms energy: -71.504735
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -12.774
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: -20.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -218.665902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.665902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.665902 (E_RNA)
where:
Base-Base interactions energy: -147.201
where: short stacking energy: -64.770
Base-Backbone interact. energy: -0.481
local terms energy: -70.983447
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -6.287
tors. eta vs tors. theta energy: -19.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -156.841702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.841702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.841702 (E_RNA)
where:
Base-Base interactions energy: -94.711
where: short stacking energy: -46.438
Base-Backbone interact. energy: -0.042
local terms energy: -62.088018
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -8.750
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: 2
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -195.294589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.294589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.294589 (E_RNA)
where:
Base-Base interactions energy: -129.323
where: short stacking energy: -62.284
Base-Backbone interact. energy: -0.075
local terms energy: -65.896844
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -13.401
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -16.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -96.027150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.027150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.027150 (E_RNA)
where:
Base-Base interactions energy: -46.382
where: short stacking energy: -31.256
Base-Backbone interact. energy: -0.217
local terms energy: -49.427293
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -15.359
flat angles C4'-P-C4' energy: -7.982
flat angles P-C4'-P energy: -8.094
tors. eta vs tors. theta energy: -4.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -101.087173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.087173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.087173 (E_RNA)
where:
Base-Base interactions energy: -54.992
where: short stacking energy: -31.350
Base-Backbone interact. energy: -0.240
local terms energy: -45.855377
where:
bonds (distance) C4'-P energy: -10.367
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -1.728
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: 10, replica: 5
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -89.512154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.512154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.512154 (E_RNA)
where:
Base-Base interactions energy: -30.259
where: short stacking energy: -26.468
Base-Backbone interact. energy: 0.008
local terms energy: -59.261122
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -16.006
flat angles C4'-P-C4' energy: -11.178
flat angles P-C4'-P energy: -13.822
tors. eta vs tors. theta energy: -1.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -230.028066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.028066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.028066 (E_RNA)
where:
Base-Base interactions energy: -157.075
where: short stacking energy: -78.129
Base-Backbone interact. energy: -1.241
local terms energy: -71.712314
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -19.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -228.761637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.761637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.761637 (E_RNA)
where:
Base-Base interactions energy: -148.305
where: short stacking energy: -70.735
Base-Backbone interact. energy: -0.047
local terms energy: -80.410113
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -11.405
tors. eta vs tors. theta energy: -23.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -218.380405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.380405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.380405 (E_RNA)
where:
Base-Base interactions energy: -140.446
where: short stacking energy: -70.992
Base-Backbone interact. energy: 0.942
local terms energy: -78.876585
where:
bonds (distance) C4'-P energy: -11.595
bonds (distance) P-C4' energy: -17.231
flat angles C4'-P-C4' energy: -17.678
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -21.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -217.983433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.983433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.983433 (E_RNA)
where:
Base-Base interactions energy: -151.234
where: short stacking energy: -70.522
Base-Backbone interact. energy: -0.065
local terms energy: -66.684006
where:
bonds (distance) C4'-P energy: -10.728
bonds (distance) P-C4' energy: -12.900
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -19.795
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: 10
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -219.189117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.189117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.189117 (E_RNA)
where:
Base-Base interactions energy: -140.084
where: short stacking energy: -63.165
Base-Backbone interact. energy: -0.167
local terms energy: -78.938254
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -17.911
flat angles P-C4'-P energy: -12.400
tors. eta vs tors. theta energy: -19.212
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: 6, replica: 1
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -153.393691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.393691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.393691 (E_RNA)
where:
Base-Base interactions energy: -96.147
where: short stacking energy: -51.716
Base-Backbone interact. energy: -0.124
local terms energy: -57.122877
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -10.600
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -9.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -189.986581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.986581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.986581 (E_RNA)
where:
Base-Base interactions energy: -127.164
where: short stacking energy: -60.516
Base-Backbone interact. energy: -0.540
local terms energy: -62.282315
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -13.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -85.308643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.308643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.308643 (E_RNA)
where:
Base-Base interactions energy: -30.397
where: short stacking energy: -30.597
Base-Backbone interact. energy: -0.141
local terms energy: -54.770508
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -15.563
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -2.568
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: 9
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -80.137346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.137346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.137346 (E_RNA)
where:
Base-Base interactions energy: -36.155
where: short stacking energy: -29.717
Base-Backbone interact. energy: 0.505
local terms energy: -44.487981
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -9.227
flat angles C4'-P-C4' energy: -11.193
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -2.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -84.835946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.835946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.835946 (E_RNA)
where:
Base-Base interactions energy: -43.221
where: short stacking energy: -24.206
Base-Backbone interact. energy: -0.084
local terms energy: -41.530480
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -13.136
flat angles C4'-P-C4' energy: -12.133
flat angles P-C4'-P energy: -1.973
tors. eta vs tors. theta energy: 0.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -237.952606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.952606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.952606 (E_RNA)
where:
Base-Base interactions energy: -155.005
where: short stacking energy: -78.683
Base-Backbone interact. energy: -0.018
local terms energy: -82.930094
where:
bonds (distance) C4'-P energy: -17.622
bonds (distance) P-C4' energy: -16.862
flat angles C4'-P-C4' energy: -18.391
flat angles P-C4'-P energy: -11.375
tors. eta vs tors. theta energy: -18.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -231.765076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.765076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.765076 (E_RNA)
where:
Base-Base interactions energy: -155.587
where: short stacking energy: -73.469
Base-Backbone interact. energy: -0.005
local terms energy: -76.172914
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -17.395
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -18.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -213.352822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.352822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.352822 (E_RNA)
where:
Base-Base interactions energy: -141.659
where: short stacking energy: -65.508
Base-Backbone interact. energy: -0.007
local terms energy: -71.687173
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -20.058
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: 4, replica: 10
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -211.416231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.416231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.416231 (E_RNA)
where:
Base-Base interactions energy: -134.459
where: short stacking energy: -62.160
Base-Backbone interact. energy: -0.007
local terms energy: -76.949990
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -21.775
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: 7
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -194.154524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.154524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.154524 (E_RNA)
where:
Base-Base interactions energy: -131.228
where: short stacking energy: -56.904
Base-Backbone interact. energy: -0.033
local terms energy: -62.893223
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -9.309
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: -15.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -199.160943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.160943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.160943 (E_RNA)
where:
Base-Base interactions energy: -129.970
where: short stacking energy: -68.060
Base-Backbone interact. energy: -0.171
local terms energy: -69.019615
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -19.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -167.362889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.362889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.362889 (E_RNA)
where:
Base-Base interactions energy: -108.133
where: short stacking energy: -49.663
Base-Backbone interact. energy: -0.638
local terms energy: -58.592380
where:
bonds (distance) C4'-P energy: -14.473
bonds (distance) P-C4' energy: -8.169
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -10.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -125.305549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.305549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.305549 (E_RNA)
where:
Base-Base interactions energy: -58.960
where: short stacking energy: -52.838
Base-Backbone interact. energy: -0.025
local terms energy: -66.319640
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -12.261
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -15.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -97.620506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.620506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.620506 (E_RNA)
where:
Base-Base interactions energy: -47.149
where: short stacking energy: -30.131
Base-Backbone interact. energy: 0.289
local terms energy: -50.760497
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -12.006
flat angles C4'-P-C4' energy: -13.853
flat angles P-C4'-P energy: -4.483
tors. eta vs tors. theta energy: -5.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -106.932973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.932973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.932973 (E_RNA)
where:
Base-Base interactions energy: -56.836
where: short stacking energy: -27.168
Base-Backbone interact. energy: -0.279
local terms energy: -49.817898
where:
bonds (distance) C4'-P energy: -9.840
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -11.973
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -3.809
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: 8
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -233.931543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.931543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.931543 (E_RNA)
where:
Base-Base interactions energy: -153.820
where: short stacking energy: -79.621
Base-Backbone interact. energy: -0.154
local terms energy: -79.957454
where:
bonds (distance) C4'-P energy: -14.085
bonds (distance) P-C4' energy: -17.549
flat angles C4'-P-C4' energy: -17.764
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -21.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -224.564195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.564195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.564195 (E_RNA)
where:
Base-Base interactions energy: -149.673
where: short stacking energy: -76.941
Base-Backbone interact. energy: -0.123
local terms energy: -74.768001
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -16.335
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -20.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -214.731191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.731191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.731191 (E_RNA)
where:
Base-Base interactions energy: -129.184
where: short stacking energy: -60.728
Base-Backbone interact. energy: -0.062
local terms energy: -85.486082
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -19.395
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -13.337
tors. eta vs tors. theta energy: -18.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -199.810313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.810313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.810313 (E_RNA)
where:
Base-Base interactions energy: -135.006
where: short stacking energy: -67.093
Base-Backbone interact. energy: -0.001
local terms energy: -64.802565
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -5.860
tors. eta vs tors. theta energy: -18.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -203.957685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.957685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.957685 (E_RNA)
where:
Base-Base interactions energy: -129.746
where: short stacking energy: -70.034
Base-Backbone interact. energy: -0.007
local terms energy: -74.204823
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -18.235
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: 2
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -205.402031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.402031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.402031 (E_RNA)
where:
Base-Base interactions energy: -136.081
where: short stacking energy: -60.231
Base-Backbone interact. energy: 1.073
local terms energy: -70.394145
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -11.545
flat angles C4'-P-C4' energy: -14.469
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -18.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -140.862302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.862302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.862302 (E_RNA)
where:
Base-Base interactions energy: -76.001
where: short stacking energy: -32.382
Base-Backbone interact. energy: -0.161
local terms energy: -64.699747
where:
bonds (distance) C4'-P energy: -17.663
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -8.199
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: 9
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -94.733487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.733487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.733487 (E_RNA)
where:
Base-Base interactions energy: -36.506
where: short stacking energy: -36.506
Base-Backbone interact. energy: -0.023
local terms energy: -58.204675
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -6.361
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: 9, replica: 5
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -81.742513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.742513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.742513 (E_RNA)
where:
Base-Base interactions energy: -35.557
where: short stacking energy: -32.625
Base-Backbone interact. energy: -0.013
local terms energy: -46.172606
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -12.957
flat angles C4'-P-C4' energy: -10.168
flat angles P-C4'-P energy: -4.553
tors. eta vs tors. theta energy: -2.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -80.471412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.471412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.471412 (E_RNA)
where:
Base-Base interactions energy: -29.748
where: short stacking energy: -29.716
Base-Backbone interact. energy: -0.094
local terms energy: -50.628913
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -12.167
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -4.799
tors. eta vs tors. theta energy: -5.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -233.854568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.854568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.854568 (E_RNA)
where:
Base-Base interactions energy: -152.352
where: short stacking energy: -73.248
Base-Backbone interact. energy: 0.274
local terms energy: -81.776092
where:
bonds (distance) C4'-P energy: -12.060
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -18.655
flat angles P-C4'-P energy: -13.505
tors. eta vs tors. theta energy: -23.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -229.453045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.453045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.453045 (E_RNA)
where:
Base-Base interactions energy: -145.862
where: short stacking energy: -74.870
Base-Backbone interact. energy: -0.711
local terms energy: -82.880484
where:
bonds (distance) C4'-P energy: -17.366
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -13.775
tors. eta vs tors. theta energy: -21.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -221.869565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.869565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.869565 (E_RNA)
where:
Base-Base interactions energy: -143.492
where: short stacking energy: -72.190
Base-Backbone interact. energy: -0.073
local terms energy: -78.304595
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -21.136
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: 7
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -223.157620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.157620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.157620 (E_RNA)
where:
Base-Base interactions energy: -150.736
where: short stacking energy: -78.202
Base-Backbone interact. energy: -0.083
local terms energy: -72.338985
where:
bonds (distance) C4'-P energy: -8.418
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -14.026
tors. eta vs tors. theta energy: -20.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -219.859174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.859174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.859174 (E_RNA)
where:
Base-Base interactions energy: -141.543
where: short stacking energy: -73.486
Base-Backbone interact. energy: -0.241
local terms energy: -78.075744
where:
bonds (distance) C4'-P energy: -10.707
bonds (distance) P-C4' energy: -18.458
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -12.045
tors. eta vs tors. theta energy: -20.491
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: 2
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -199.291604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.291604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.291604 (E_RNA)
where:
Base-Base interactions energy: -129.801
where: short stacking energy: -65.679
Base-Backbone interact. energy: -0.853
local terms energy: -68.637183
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -12.132
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -18.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -145.864336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.864336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.864336 (E_RNA)
where:
Base-Base interactions energy: -88.073
where: short stacking energy: -48.906
Base-Backbone interact. energy: -2.012
local terms energy: -55.778844
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -10.831
flat angles C4'-P-C4' energy: -12.089
flat angles P-C4'-P energy: -7.025
tors. eta vs tors. theta energy: -12.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -98.689934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.689934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.689934 (E_RNA)
where:
Base-Base interactions energy: -47.672
where: short stacking energy: -32.213
Base-Backbone interact. energy: -0.414
local terms energy: -50.604363
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -7.276
tors. eta vs tors. theta energy: -3.239
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: 9
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -84.565129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.565129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.565129 (E_RNA)
where:
Base-Base interactions energy: -45.954
where: short stacking energy: -25.337
Base-Backbone interact. energy: -0.272
local terms energy: -38.339001
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -4.706
flat angles P-C4'-P energy: -3.381
tors. eta vs tors. theta energy: 1.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -82.301391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.301391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.301391 (E_RNA)
where:
Base-Base interactions energy: -32.861
where: short stacking energy: -32.861
Base-Backbone interact. energy: 0.018
local terms energy: -49.457691
where:
bonds (distance) C4'-P energy: -9.143
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -3.130
tors. eta vs tors. theta energy: -7.889
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: 1, replica: 8
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -237.366431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.366431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.366431 (E_RNA)
where:
Base-Base interactions energy: -152.823
where: short stacking energy: -75.863
Base-Backbone interact. energy: -0.075
local terms energy: -84.468227
where:
bonds (distance) C4'-P energy: -17.373
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -17.020
flat angles P-C4'-P energy: -13.437
tors. eta vs tors. theta energy: -22.751
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: 3
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -227.203072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.203072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.203072 (E_RNA)
where:
Base-Base interactions energy: -149.205
where: short stacking energy: -71.488
Base-Backbone interact. energy: -0.046
local terms energy: -77.952226
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -20.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -222.326828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.326828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.326828 (E_RNA)
where:
Base-Base interactions energy: -141.776
where: short stacking energy: -73.720
Base-Backbone interact. energy: -0.031
local terms energy: -80.519360
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -17.209
flat angles P-C4'-P energy: -13.702
tors. eta vs tors. theta energy: -22.196
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: 10
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -219.379495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.379495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.379495 (E_RNA)
where:
Base-Base interactions energy: -142.079
where: short stacking energy: -66.300
Base-Backbone interact. energy: -0.006
local terms energy: -77.294723
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -11.241
flat angles C4'-P-C4' energy: -17.473
flat angles P-C4'-P energy: -12.405
tors. eta vs tors. theta energy: -19.126
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: 5, replica: 2
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -190.743396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.743396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.743396 (E_RNA)
where:
Base-Base interactions energy: -127.208
where: short stacking energy: -62.627
Base-Backbone interact. energy: -0.096
local terms energy: -63.438514
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -10.890
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -6.274
tors. eta vs tors. theta energy: -13.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -179.405107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.405107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.405107 (E_RNA)
where:
Base-Base interactions energy: -117.942
where: short stacking energy: -54.738
Base-Backbone interact. energy: -0.082
local terms energy: -61.380745
where:
bonds (distance) C4'-P energy: -9.404
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -7.147
tors. eta vs tors. theta energy: -11.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -151.728372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.728372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.728372 (E_RNA)
where:
Base-Base interactions energy: -92.991
where: short stacking energy: -44.119
Base-Backbone interact. energy: -0.513
local terms energy: -58.224337
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -8.669
tors. eta vs tors. theta energy: -7.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -80.377988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.377988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.377988 (E_RNA)
where:
Base-Base interactions energy: -27.721
where: short stacking energy: -24.665
Base-Backbone interact. energy: 0.194
local terms energy: -52.850957
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -12.410
flat angles P-C4'-P energy: -6.521
tors. eta vs tors. theta energy: -5.373
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: 360
Temperature: 1.300000
Total energy: -93.118650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.118650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.118650 (E_RNA)
where:
Base-Base interactions energy: -28.321
where: short stacking energy: -28.321
Base-Backbone interact. energy: -0.171
local terms energy: -64.626693
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -17.395
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -6.183
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: 4
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -80.102133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.102133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.102133 (E_RNA)
where:
Base-Base interactions energy: -36.321
where: short stacking energy: -26.035
Base-Backbone interact. energy: 0.632
local terms energy: -44.412915
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -10.312
flat angles C4'-P-C4' energy: -10.479
flat angles P-C4'-P energy: -6.050
tors. eta vs tors. theta energy: -4.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -230.679342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.679342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.679342 (E_RNA)
where:
Base-Base interactions energy: -151.246
where: short stacking energy: -73.475
Base-Backbone interact. energy: -0.047
local terms energy: -79.386818
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -17.711
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -21.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -231.262558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.262558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.262558 (E_RNA)
where:
Base-Base interactions energy: -147.298
where: short stacking energy: -74.827
Base-Backbone interact. energy: 0.625
local terms energy: -84.589317
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -13.455
tors. eta vs tors. theta energy: -22.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -232.002743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.002743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.002743 (E_RNA)
where:
Base-Base interactions energy: -149.843
where: short stacking energy: -74.697
Base-Backbone interact. energy: -0.494
local terms energy: -81.665021
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -18.020
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -21.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -222.027328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.027328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.027328 (E_RNA)
where:
Base-Base interactions energy: -145.038
where: short stacking energy: -73.550
Base-Backbone interact. energy: -0.067
local terms energy: -76.921795
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -11.919
flat angles P-C4'-P energy: -12.499
tors. eta vs tors. theta energy: -21.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -182.060556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.060556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.060556 (E_RNA)
where:
Base-Base interactions energy: -121.860
where: short stacking energy: -50.109
Base-Backbone interact. energy: -0.345
local terms energy: -59.855564
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -12.383
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -9.439
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: 361
Temperature: 1.150000
Total energy: -200.222245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.222245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.222245 (E_RNA)
where:
Base-Base interactions energy: -129.780
where: short stacking energy: -66.353
Base-Backbone interact. energy: -0.102
local terms energy: -70.340390
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -13.362
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -18.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -144.668549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.668549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.668549 (E_RNA)
where:
Base-Base interactions energy: -85.056
where: short stacking energy: -39.742
Base-Backbone interact. energy: 0.696
local terms energy: -60.308994
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -8.607
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: 9
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -122.386283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.386283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.386283 (E_RNA)
where:
Base-Base interactions energy: -66.599
where: short stacking energy: -34.416
Base-Backbone interact. energy: -0.048
local terms energy: -55.739666
where:
bonds (distance) C4'-P energy: -11.727
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -5.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -85.820495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.820495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.820495 (E_RNA)
where:
Base-Base interactions energy: -29.561
where: short stacking energy: -27.326
Base-Backbone interact. energy: -0.098
local terms energy: -56.161659
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -10.640
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -4.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -78.705062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.705062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.705062 (E_RNA)
where:
Base-Base interactions energy: -33.226
where: short stacking energy: -23.778
Base-Backbone interact. energy: -0.206
local terms energy: -45.272631
where:
bonds (distance) C4'-P energy: -10.799
bonds (distance) P-C4' energy: -11.025
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -2.868
tors. eta vs tors. theta energy: -5.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -232.730792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.730792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.730792 (E_RNA)
where:
Base-Base interactions energy: -155.658
where: short stacking energy: -72.771
Base-Backbone interact. energy: -0.726
local terms energy: -76.346554
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -17.151
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -19.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -228.136147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.136147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.136147 (E_RNA)
where:
Base-Base interactions energy: -151.326
where: short stacking energy: -77.871
Base-Backbone interact. energy: -0.078
local terms energy: -76.731632
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -21.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -217.499827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.499827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.499827 (E_RNA)
where:
Base-Base interactions energy: -143.741
where: short stacking energy: -75.558
Base-Backbone interact. energy: -0.011
local terms energy: -73.748129
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -8.448
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -13.409
tors. eta vs tors. theta energy: -19.559
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: 4, replica: 3
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -227.012790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.012790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.012790 (E_RNA)
where:
Base-Base interactions energy: -151.884
where: short stacking energy: -70.222
Base-Backbone interact. energy: -1.074
local terms energy: -74.054135
where:
bonds (distance) C4'-P energy: -11.441
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -11.499
tors. eta vs tors. theta energy: -18.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -211.015223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.015223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.015223 (E_RNA)
where:
Base-Base interactions energy: -143.160
where: short stacking energy: -66.620
Base-Backbone interact. energy: -0.002
local terms energy: -67.852558
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -11.754
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -17.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -202.445245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.445245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.445245 (E_RNA)
where:
Base-Base interactions energy: -135.687
where: short stacking energy: -65.346
Base-Backbone interact. energy: -0.093
local terms energy: -66.665098
where:
bonds (distance) C4'-P energy: -7.635
bonds (distance) P-C4' energy: -11.112
flat angles C4'-P-C4' energy: -13.318
flat angles P-C4'-P energy: -14.256
tors. eta vs tors. theta energy: -20.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -115.787696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.787696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.787696 (E_RNA)
where:
Base-Base interactions energy: -69.043
where: short stacking energy: -35.517
Base-Backbone interact. energy: -0.421
local terms energy: -46.324166
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -10.983
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -2.891
tors. eta vs tors. theta energy: -5.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -150.139201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.139201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.139201 (E_RNA)
where:
Base-Base interactions energy: -91.266
where: short stacking energy: -35.803
Base-Backbone interact. energy: -0.234
local terms energy: -58.638730
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -12.885
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -10.329
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: 9, replica: 5
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -84.877875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.877875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.877875 (E_RNA)
where:
Base-Base interactions energy: -36.974
where: short stacking energy: -30.362
Base-Backbone interact. energy: 0.142
local terms energy: -48.046397
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -11.813
flat angles C4'-P-C4' energy: -14.686
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: 1.229
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: 4
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -82.363613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.363613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.363613 (E_RNA)
where:
Base-Base interactions energy: -39.881
where: short stacking energy: -26.836
Base-Backbone interact. energy: 1.887
local terms energy: -44.369566
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -9.629
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -5.147
tors. eta vs tors. theta energy: -2.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -232.648130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.648130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.648130 (E_RNA)
where:
Base-Base interactions energy: -150.969
where: short stacking energy: -76.442
Base-Backbone interact. energy: -0.330
local terms energy: -81.349454
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -16.062
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -22.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -225.965864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.965864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.965864 (E_RNA)
where:
Base-Base interactions energy: -146.675
where: short stacking energy: -77.400
Base-Backbone interact. energy: -0.989
local terms energy: -78.301583
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -13.331
tors. eta vs tors. theta energy: -21.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -224.131981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.131981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.131981 (E_RNA)
where:
Base-Base interactions energy: -150.078
where: short stacking energy: -70.152
Base-Backbone interact. energy: -0.010
local terms energy: -74.043810
where:
bonds (distance) C4'-P energy: -15.505
bonds (distance) P-C4' energy: -13.615
flat angles C4'-P-C4' energy: -16.387
flat angles P-C4'-P energy: -11.891
tors. eta vs tors. theta energy: -16.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -205.475726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.475726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.475726 (E_RNA)
where:
Base-Base interactions energy: -131.561
where: short stacking energy: -63.234
Base-Backbone interact. energy: -0.120
local terms energy: -73.794667
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -18.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -206.687144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.687144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.687144 (E_RNA)
where:
Base-Base interactions energy: -133.722
where: short stacking energy: -69.544
Base-Backbone interact. energy: -0.035
local terms energy: -72.930301
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -10.614
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: 6, replica: 6
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -207.308957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.308957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.308957 (E_RNA)
where:
Base-Base interactions energy: -137.751
where: short stacking energy: -62.016
Base-Backbone interact. energy: -0.013
local terms energy: -69.544880
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -14.890
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -18.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -100.485382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.485382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.485382 (E_RNA)
where:
Base-Base interactions energy: -49.656
where: short stacking energy: -34.852
Base-Backbone interact. energy: -0.149
local terms energy: -50.680784
where:
bonds (distance) C4'-P energy: -8.857
bonds (distance) P-C4' energy: -14.287
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -3.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -152.423186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.423186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.423186 (E_RNA)
where:
Base-Base interactions energy: -98.342
where: short stacking energy: -38.295
Base-Backbone interact. energy: -0.396
local terms energy: -53.685907
where:
bonds (distance) C4'-P energy: -9.324
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -6.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -101.851442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.851442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.851442 (E_RNA)
where:
Base-Base interactions energy: -42.606
where: short stacking energy: -42.124
Base-Backbone interact. energy: -0.009
local terms energy: -59.236124
where:
bonds (distance) C4'-P energy: -12.510
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -7.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -83.503711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.503711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.503711 (E_RNA)
where:
Base-Base interactions energy: -20.345
where: short stacking energy: -19.613
Base-Backbone interact. energy: -0.009
local terms energy: -63.150037
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -6.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -227.834685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.834685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.834685 (E_RNA)
where:
Base-Base interactions energy: -151.296
where: short stacking energy: -64.242
Base-Backbone interact. energy: -0.325
local terms energy: -76.213538
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -20.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -224.941404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.941404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.941404 (E_RNA)
where:
Base-Base interactions energy: -150.060
where: short stacking energy: -76.590
Base-Backbone interact. energy: -0.012
local terms energy: -74.869599
where:
bonds (distance) C4'-P energy: -9.362
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -17.610
flat angles P-C4'-P energy: -13.398
tors. eta vs tors. theta energy: -17.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -225.203747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.203747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.203747 (E_RNA)
where:
Base-Base interactions energy: -145.639
where: short stacking energy: -74.577
Base-Backbone interact. energy: -0.000
local terms energy: -79.564811
where:
bonds (distance) C4'-P energy: -15.968
bonds (distance) P-C4' energy: -15.746
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -21.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -218.886452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.886452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.886452 (E_RNA)
where:
Base-Base interactions energy: -149.305
where: short stacking energy: -71.015
Base-Backbone interact. energy: -0.614
local terms energy: -68.967315
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -12.031
flat angles P-C4'-P energy: -12.668
tors. eta vs tors. theta energy: -19.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -219.653970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.653970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.653970 (E_RNA)
where:
Base-Base interactions energy: -147.760
where: short stacking energy: -71.292
Base-Backbone interact. energy: -0.068
local terms energy: -71.825917
where:
bonds (distance) C4'-P energy: -12.032
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -13.401
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -19.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -202.927069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.927069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.927069 (E_RNA)
where:
Base-Base interactions energy: -133.433
where: short stacking energy: -68.939
Base-Backbone interact. energy: -0.002
local terms energy: -69.492703
where:
bonds (distance) C4'-P energy: -8.189
bonds (distance) P-C4' energy: -10.606
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -14.331
tors. eta vs tors. theta energy: -20.474
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: 7, replica: 1
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -144.616550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.616550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.616550 (E_RNA)
where:
Base-Base interactions energy: -84.050
where: short stacking energy: -36.576
Base-Backbone interact. energy: 0.793
local terms energy: -61.359751
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -13.080
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -10.055
tors. eta vs tors. theta energy: -7.021
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: 8, replica: 9
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -86.233311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.233311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.233311 (E_RNA)
where:
Base-Base interactions energy: -40.559
where: short stacking energy: -28.467
Base-Backbone interact. energy: -0.644
local terms energy: -45.030621
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -7.990
flat angles P-C4'-P energy: -2.516
tors. eta vs tors. theta energy: -5.115
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: 9, replica: 5
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -84.857490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.857490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.857490 (E_RNA)
where:
Base-Base interactions energy: -30.500
where: short stacking energy: -30.500
Base-Backbone interact. energy: -0.003
local terms energy: -54.354639
where:
bonds (distance) C4'-P energy: -11.792
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -10.286
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -6.592
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: 364
Temperature: 1.350000
Total energy: -84.029823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.029823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.029823 (E_RNA)
where:
Base-Base interactions energy: -35.888
where: short stacking energy: -35.888
Base-Backbone interact. energy: -0.122
local terms energy: -48.020256
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -8.960
flat angles P-C4'-P energy: -6.146
tors. eta vs tors. theta energy: -4.391
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: 1, replica: 7
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -233.006345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.006345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.006345 (E_RNA)
where:
Base-Base interactions energy: -149.891
where: short stacking energy: -74.379
Base-Backbone interact. energy: -0.002
local terms energy: -83.113898
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -14.503
flat angles C4'-P-C4' energy: -17.637
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -23.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -218.254136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.254136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.254136 (E_RNA)
where:
Base-Base interactions energy: -146.098
where: short stacking energy: -66.639
Base-Backbone interact. energy: -0.028
local terms energy: -72.127742
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -10.078
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -13.093
tors. eta vs tors. theta energy: -16.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -225.750598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.750598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.750598 (E_RNA)
where:
Base-Base interactions energy: -136.383
where: short stacking energy: -71.858
Base-Backbone interact. energy: -1.297
local terms energy: -88.070305
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -18.135
flat angles P-C4'-P energy: -16.062
tors. eta vs tors. theta energy: -22.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -218.936868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.936868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.936868 (E_RNA)
where:
Base-Base interactions energy: -140.699
where: short stacking energy: -74.463
Base-Backbone interact. energy: -0.359
local terms energy: -77.878472
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -11.733
flat angles C4'-P-C4' energy: -17.516
flat angles P-C4'-P energy: -12.519
tors. eta vs tors. theta energy: -20.729
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: 5, replica: 3
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -207.540666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.540666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.540666 (E_RNA)
where:
Base-Base interactions energy: -142.560
where: short stacking energy: -62.310
Base-Backbone interact. energy: -0.492
local terms energy: -64.488464
where:
bonds (distance) C4'-P energy: -11.462
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -12.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -207.874828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.874828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.874828 (E_RNA)
where:
Base-Base interactions energy: -135.632
where: short stacking energy: -74.170
Base-Backbone interact. energy: -0.376
local terms energy: -71.866734
where:
bonds (distance) C4'-P energy: -9.779
bonds (distance) P-C4' energy: -12.471
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -21.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -161.062173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.062173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.062173 (E_RNA)
where:
Base-Base interactions energy: -103.331
where: short stacking energy: -40.663
Base-Backbone interact. energy: -0.652
local terms energy: -57.079636
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -12.661
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -6.241
tors. eta vs tors. theta energy: -8.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -101.844993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.844993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.844993 (E_RNA)
where:
Base-Base interactions energy: -53.987
where: short stacking energy: -39.431
Base-Backbone interact. energy: -0.190
local terms energy: -47.667343
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -14.011
flat angles P-C4'-P energy: -4.040
tors. eta vs tors. theta energy: -3.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -84.372576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.372576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.372576 (E_RNA)
where:
Base-Base interactions energy: -30.765
where: short stacking energy: -29.372
Base-Backbone interact. energy: 1.286
local terms energy: -54.893368
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -17.096
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -7.706
tors. eta vs tors. theta energy: -4.593
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: 4
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -97.719392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.719392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.719392 (E_RNA)
where:
Base-Base interactions energy: -41.084
where: short stacking energy: -18.225
Base-Backbone interact. energy: -0.070
local terms energy: -56.565737
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -11.299
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -4.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -228.742885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.742885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.742885 (E_RNA)
where:
Base-Base interactions energy: -150.792
where: short stacking energy: -66.551
Base-Backbone interact. energy: -0.050
local terms energy: -77.900742
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -18.481
flat angles P-C4'-P energy: -13.616
tors. eta vs tors. theta energy: -15.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -223.367374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.367374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.367374 (E_RNA)
where:
Base-Base interactions energy: -154.681
where: short stacking energy: -75.265
Base-Backbone interact. energy: -0.000
local terms energy: -68.686003
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -21.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -224.389498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.389498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.389498 (E_RNA)
where:
Base-Base interactions energy: -146.488
where: short stacking energy: -73.380
Base-Backbone interact. energy: -0.487
local terms energy: -77.414903
where:
bonds (distance) C4'-P energy: -16.331
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -19.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -209.632814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.632814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.632814 (E_RNA)
where:
Base-Base interactions energy: -139.677
where: short stacking energy: -68.122
Base-Backbone interact. energy: -0.000
local terms energy: -69.955989
where:
bonds (distance) C4'-P energy: -8.347
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -20.564
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: 2
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -215.578042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.578042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.578042 (E_RNA)
where:
Base-Base interactions energy: -145.828
where: short stacking energy: -67.760
Base-Backbone interact. energy: -0.025
local terms energy: -69.725090
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -10.919
flat angles C4'-P-C4' energy: -16.944
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: -16.920
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: 366
Temperature: 1.150000
Total energy: -212.165783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.165783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.165783 (E_RNA)
where:
Base-Base interactions energy: -138.274
where: short stacking energy: -65.054
Base-Backbone interact. energy: -0.002
local terms energy: -73.889359
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -13.853
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -21.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -170.254660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.254660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.254660 (E_RNA)
where:
Base-Base interactions energy: -109.548
where: short stacking energy: -50.872
Base-Backbone interact. energy: -0.199
local terms energy: -60.507956
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -12.158
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -7.513
tors. eta vs tors. theta energy: -11.603
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: 5
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -88.371012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.371012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.371012 (E_RNA)
where:
Base-Base interactions energy: -36.970
where: short stacking energy: -35.298
Base-Backbone interact. energy: -0.267
local terms energy: -51.133374
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -7.808
tors. eta vs tors. theta energy: -1.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -82.277084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.277084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.277084 (E_RNA)
where:
Base-Base interactions energy: -28.748
where: short stacking energy: -24.779
Base-Backbone interact. energy: -0.115
local terms energy: -53.413572
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -10.591
flat angles P-C4'-P energy: -13.337
tors. eta vs tors. theta energy: -2.438
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: 9
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -76.716604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.716604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.716604 (E_RNA)
where:
Base-Base interactions energy: -28.777
where: short stacking energy: -21.188
Base-Backbone interact. energy: -0.193
local terms energy: -47.746589
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -13.784
flat angles C4'-P-C4' energy: -10.332
flat angles P-C4'-P energy: -7.886
tors. eta vs tors. theta energy: -4.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -234.053652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.053652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.053652 (E_RNA)
where:
Base-Base interactions energy: -156.129
where: short stacking energy: -72.775
Base-Backbone interact. energy: -0.239
local terms energy: -77.684934
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -17.944
flat angles P-C4'-P energy: -9.276
tors. eta vs tors. theta energy: -20.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -218.899158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.899158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.899158 (E_RNA)
where:
Base-Base interactions energy: -144.478
where: short stacking energy: -68.150
Base-Backbone interact. energy: -0.470
local terms energy: -73.950661
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -13.833
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -18.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -212.684334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.684334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.684334 (E_RNA)
where:
Base-Base interactions energy: -150.675
where: short stacking energy: -57.802
Base-Backbone interact. energy: -0.388
local terms energy: -61.622038
where:
bonds (distance) C4'-P energy: -15.305
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -11.891
flat angles P-C4'-P energy: -8.460
tors. eta vs tors. theta energy: -11.794
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: 2
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -220.558322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.558322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.558322 (E_RNA)
where:
Base-Base interactions energy: -149.191
where: short stacking energy: -75.382
Base-Backbone interact. energy: -0.000
local terms energy: -71.367718
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -8.660
tors. eta vs tors. theta energy: -19.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -212.696262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.696262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.696262 (E_RNA)
where:
Base-Base interactions energy: -138.588
where: short stacking energy: -64.913
Base-Backbone interact. energy: -0.301
local terms energy: -73.807426
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -12.237
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -19.049
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: 3
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -195.285586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.285586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.285586 (E_RNA)
where:
Base-Base interactions energy: -124.149
where: short stacking energy: -56.484
Base-Backbone interact. energy: 0.101
local terms energy: -71.237636
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -14.815
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: -17.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -173.676249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.676249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.676249 (E_RNA)
where:
Base-Base interactions energy: -109.446
where: short stacking energy: -42.090
Base-Backbone interact. energy: -0.134
local terms energy: -64.095868
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: -10.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -85.741502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.741502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.741502 (E_RNA)
where:
Base-Base interactions energy: -30.612
where: short stacking energy: -30.612
Base-Backbone interact. energy: 0.646
local terms energy: -55.776128
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -10.978
flat angles P-C4'-P energy: -8.203
tors. eta vs tors. theta energy: -8.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -97.561741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.561741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.561741 (E_RNA)
where:
Base-Base interactions energy: -50.813
where: short stacking energy: -28.373
Base-Backbone interact. energy: -0.631
local terms energy: -46.117638
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -12.739
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -1.856
tors. eta vs tors. theta energy: -6.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -79.772525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.772525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.772525 (E_RNA)
where:
Base-Base interactions energy: -28.686
where: short stacking energy: -28.686
Base-Backbone interact. energy: 0.560
local terms energy: -51.646224
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -12.833
flat angles C4'-P-C4' energy: -13.564
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -4.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -233.838577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.838577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.838577 (E_RNA)
where:
Base-Base interactions energy: -150.097
where: short stacking energy: -68.515
Base-Backbone interact. energy: -0.547
local terms energy: -83.194474
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: -21.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -225.374714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.374714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.374714 (E_RNA)
where:
Base-Base interactions energy: -145.316
where: short stacking energy: -66.125
Base-Backbone interact. energy: -0.004
local terms energy: -80.054804
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -12.060
tors. eta vs tors. theta energy: -21.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -221.197857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.197857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.197857 (E_RNA)
where:
Base-Base interactions energy: -144.773
where: short stacking energy: -70.305
Base-Backbone interact. energy: -0.093
local terms energy: -76.332318
where:
bonds (distance) C4'-P energy: -11.428
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -18.402
flat angles P-C4'-P energy: -7.847
tors. eta vs tors. theta energy: -21.685
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: 7
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -209.895745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.895745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.895745 (E_RNA)
where:
Base-Base interactions energy: -145.193
where: short stacking energy: -69.371
Base-Backbone interact. energy: -0.086
local terms energy: -64.617504
where:
bonds (distance) C4'-P energy: -8.413
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -14.569
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: 5, replica: 3
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -221.722400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.722400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.722400 (E_RNA)
where:
Base-Base interactions energy: -144.959
where: short stacking energy: -70.796
Base-Backbone interact. energy: -0.002
local terms energy: -76.761323
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -12.190
tors. eta vs tors. theta energy: -22.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -209.438557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.438557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.438557 (E_RNA)
where:
Base-Base interactions energy: -143.243
where: short stacking energy: -63.495
Base-Backbone interact. energy: 1.281
local terms energy: -67.476904
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -13.847
flat angles C4'-P-C4' energy: -17.476
flat angles P-C4'-P energy: -5.063
tors. eta vs tors. theta energy: -19.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -175.789976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.789976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.789976 (E_RNA)
where:
Base-Base interactions energy: -103.262
where: short stacking energy: -50.124
Base-Backbone interact. energy: -0.492
local terms energy: -72.035768
where:
bonds (distance) C4'-P energy: -12.109
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -12.811
tors. eta vs tors. theta energy: -16.104
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: 5
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -91.173009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.173009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.173009 (E_RNA)
where:
Base-Base interactions energy: -31.776
where: short stacking energy: -29.107
Base-Backbone interact. energy: -0.223
local terms energy: -59.174860
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -13.312
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -1.617
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: 4
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -75.376854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.376854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.376854 (E_RNA)
where:
Base-Base interactions energy: -35.062
where: short stacking energy: -26.555
Base-Backbone interact. energy: 0.451
local terms energy: -40.766360
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -11.399
flat angles P-C4'-P energy: -6.275
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: 10, replica: 9
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -88.713162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.713162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.713162 (E_RNA)
where:
Base-Base interactions energy: -39.420
where: short stacking energy: -30.668
Base-Backbone interact. energy: -0.080
local terms energy: -49.213069
where:
bonds (distance) C4'-P energy: -9.345
bonds (distance) P-C4' energy: -16.218
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -2.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -235.035402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.035402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.035402 (E_RNA)
where:
Base-Base interactions energy: -157.422
where: short stacking energy: -75.057
Base-Backbone interact. energy: -0.041
local terms energy: -77.571832
where:
bonds (distance) C4'-P energy: -12.698
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -12.142
tors. eta vs tors. theta energy: -20.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -226.927936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.927936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.927936 (E_RNA)
where:
Base-Base interactions energy: -153.285
where: short stacking energy: -73.375
Base-Backbone interact. energy: -0.261
local terms energy: -73.381941
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -12.107
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -12.923
tors. eta vs tors. theta energy: -20.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -226.433472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.433472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.433472 (E_RNA)
where:
Base-Base interactions energy: -153.398
where: short stacking energy: -69.751
Base-Backbone interact. energy: -0.331
local terms energy: -72.704093
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -20.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -219.243698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.243698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.243698 (E_RNA)
where:
Base-Base interactions energy: -145.197
where: short stacking energy: -73.567
Base-Backbone interact. energy: -0.018
local terms energy: -74.028996
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -18.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -206.560190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.560190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.560190 (E_RNA)
where:
Base-Base interactions energy: -133.676
where: short stacking energy: -59.553
Base-Backbone interact. energy: -0.575
local terms energy: -72.308532
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -12.459
flat angles C4'-P-C4' energy: -17.156
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -15.986
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: 6
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -209.240056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.240056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.240056 (E_RNA)
where:
Base-Base interactions energy: -144.451
where: short stacking energy: -67.041
Base-Backbone interact. energy: -0.009
local terms energy: -64.780054
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -11.016
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -17.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -175.184053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.184053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.184053 (E_RNA)
where:
Base-Base interactions energy: -101.016
where: short stacking energy: -48.474
Base-Backbone interact. energy: -1.127
local terms energy: -73.041331
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -12.003
tors. eta vs tors. theta energy: -12.970
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: 4
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -103.180208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.180208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.180208 (E_RNA)
where:
Base-Base interactions energy: -53.782
where: short stacking energy: -27.007
Base-Backbone interact. energy: 2.617
local terms energy: -52.014736
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -8.959
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -3.047
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: 9, replica: 5
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -84.023413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.023413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.023413 (E_RNA)
where:
Base-Base interactions energy: -38.133
where: short stacking energy: -29.826
Base-Backbone interact. energy: -0.179
local terms energy: -45.711612
where:
bonds (distance) C4'-P energy: -10.508
bonds (distance) P-C4' energy: -12.996
flat angles C4'-P-C4' energy: -6.599
flat angles P-C4'-P energy: -6.363
tors. eta vs tors. theta energy: -9.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -75.225288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.225288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.225288 (E_RNA)
where:
Base-Base interactions energy: -26.097
where: short stacking energy: -23.104
Base-Backbone interact. energy: -0.193
local terms energy: -48.934948
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -15.521
flat angles C4'-P-C4' energy: -7.555
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -1.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -235.033110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.033110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.033110 (E_RNA)
where:
Base-Base interactions energy: -157.825
where: short stacking energy: -73.224
Base-Backbone interact. energy: -0.001
local terms energy: -77.207688
where:
bonds (distance) C4'-P energy: -12.963
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -21.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -223.311681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.311681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.311681 (E_RNA)
where:
Base-Base interactions energy: -149.103
where: short stacking energy: -73.909
Base-Backbone interact. energy: -0.162
local terms energy: -74.047298
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -20.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -219.454508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.454508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.454508 (E_RNA)
where:
Base-Base interactions energy: -136.961
where: short stacking energy: -67.483
Base-Backbone interact. energy: -0.627
local terms energy: -81.867198
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -23.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -223.677443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.677443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.677443 (E_RNA)
where:
Base-Base interactions energy: -145.771
where: short stacking energy: -73.364
Base-Backbone interact. energy: -0.007
local terms energy: -77.899397
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -11.553
flat angles C4'-P-C4' energy: -17.409
flat angles P-C4'-P energy: -14.020
tors. eta vs tors. theta energy: -22.844
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: 6
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -210.398666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.398666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.398666 (E_RNA)
where:
Base-Base interactions energy: -142.760
where: short stacking energy: -69.046
Base-Backbone interact. energy: -0.072
local terms energy: -67.566026
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -14.472
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -15.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -186.036864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.036864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.036864 (E_RNA)
where:
Base-Base interactions energy: -121.752
where: short stacking energy: -58.685
Base-Backbone interact. energy: -0.016
local terms energy: -64.268811
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -9.031
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -18.434
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: 1
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -173.196827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.196827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.196827 (E_RNA)
where:
Base-Base interactions energy: -111.794
where: short stacking energy: -61.345
Base-Backbone interact. energy: -0.000
local terms energy: -61.402830
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -8.287
flat angles C4'-P-C4' energy: -11.882
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: -17.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -87.315181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.315181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.315181 (E_RNA)
where:
Base-Base interactions energy: -46.089
where: short stacking energy: -29.782
Base-Backbone interact. energy: -0.141
local terms energy: -41.086050
where:
bonds (distance) C4'-P energy: -9.763
bonds (distance) P-C4' energy: -9.141
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -7.258
tors. eta vs tors. theta energy: -0.500
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: 370
Temperature: 1.300000
Total energy: -84.358701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.358701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.358701 (E_RNA)
where:
Base-Base interactions energy: -37.647
where: short stacking energy: -36.065
Base-Backbone interact. energy: -0.427
local terms energy: -46.284128
where:
bonds (distance) C4'-P energy: -11.531
bonds (distance) P-C4' energy: -8.036
flat angles C4'-P-C4' energy: -10.730
flat angles P-C4'-P energy: -11.225
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: 10, replica: 5
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -89.852791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.852791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.852791 (E_RNA)
where:
Base-Base interactions energy: -46.896
where: short stacking energy: -22.804
Base-Backbone interact. energy: -0.013
local terms energy: -42.943768
where:
bonds (distance) C4'-P energy: -7.814
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -12.154
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: 0.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -230.245268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.245268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.245268 (E_RNA)
where:
Base-Base interactions energy: -150.264
where: short stacking energy: -76.400
Base-Backbone interact. energy: -0.013
local terms energy: -79.967896
where:
bonds (distance) C4'-P energy: -14.271
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -21.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -226.198684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.198684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.198684 (E_RNA)
where:
Base-Base interactions energy: -149.486
where: short stacking energy: -67.957
Base-Backbone interact. energy: -0.002
local terms energy: -76.710884
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -16.261
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: -19.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -220.896226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.896226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.896226 (E_RNA)
where:
Base-Base interactions energy: -144.842
where: short stacking energy: -66.251
Base-Backbone interact. energy: -0.864
local terms energy: -75.190040
where:
bonds (distance) C4'-P energy: -14.780
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -18.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -218.136595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.136595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.136595 (E_RNA)
where:
Base-Base interactions energy: -146.687
where: short stacking energy: -61.253
Base-Backbone interact. energy: -0.861
local terms energy: -70.588951
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -16.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -211.198131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.198131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.198131 (E_RNA)
where:
Base-Base interactions energy: -141.007
where: short stacking energy: -63.629
Base-Backbone interact. energy: -0.514
local terms energy: -69.677301
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -13.711
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -20.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -200.894176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.894176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.894176 (E_RNA)
where:
Base-Base interactions energy: -136.922
where: short stacking energy: -61.952
Base-Backbone interact. energy: -0.313
local terms energy: -63.659946
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -12.297
flat angles P-C4'-P energy: -5.313
tors. eta vs tors. theta energy: -17.781
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: 7, replica: 1
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -140.770978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.770978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.770978 (E_RNA)
where:
Base-Base interactions energy: -86.131
where: short stacking energy: -40.038
Base-Backbone interact. energy: -1.014
local terms energy: -53.625923
where:
bonds (distance) C4'-P energy: -12.834
bonds (distance) P-C4' energy: -13.162
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: -4.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -93.713317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.713317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.713317 (E_RNA)
where:
Base-Base interactions energy: -35.378
where: short stacking energy: -32.573
Base-Backbone interact. energy: -0.451
local terms energy: -57.885102
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -7.984
tors. eta vs tors. theta energy: -4.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -80.221520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.221520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.221520 (E_RNA)
where:
Base-Base interactions energy: -30.895
where: short stacking energy: -30.895
Base-Backbone interact. energy: -0.044
local terms energy: -49.282550
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -10.620
flat angles C4'-P-C4' energy: -12.128
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -4.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -82.307472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.307472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.307472 (E_RNA)
where:
Base-Base interactions energy: -34.299
where: short stacking energy: -34.299
Base-Backbone interact. energy: -0.340
local terms energy: -47.667845
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -12.991
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -2.271
tors. eta vs tors. theta energy: -6.623
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: 2
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -227.170265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.170265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.170265 (E_RNA)
where:
Base-Base interactions energy: -149.838
where: short stacking energy: -77.207
Base-Backbone interact. energy: -0.079
local terms energy: -77.253247
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -13.368
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -12.856
tors. eta vs tors. theta energy: -24.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -229.486918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.486918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.486918 (E_RNA)
where:
Base-Base interactions energy: -150.306
where: short stacking energy: -78.418
Base-Backbone interact. energy: 0.060
local terms energy: -79.240687
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -16.155
flat angles C4'-P-C4' energy: -17.076
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -19.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -218.543044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.543044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.543044 (E_RNA)
where:
Base-Base interactions energy: -146.142
where: short stacking energy: -66.590
Base-Backbone interact. energy: -1.209
local terms energy: -71.192654
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -18.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -226.991805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.991805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.991805 (E_RNA)
where:
Base-Base interactions energy: -148.284
where: short stacking energy: -68.691
Base-Backbone interact. energy: -0.065
local terms energy: -78.642305
where:
bonds (distance) C4'-P energy: -13.844
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -18.780
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: -19.435
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: 7
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -201.851337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.851337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.851337 (E_RNA)
where:
Base-Base interactions energy: -140.148
where: short stacking energy: -58.848
Base-Backbone interact. energy: -0.180
local terms energy: -61.522542
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -11.800
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -10.686
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: 6
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -209.193879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.193879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.193879 (E_RNA)
where:
Base-Base interactions energy: -135.466
where: short stacking energy: -72.743
Base-Backbone interact. energy: -0.000
local terms energy: -73.728138
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -13.231
flat angles P-C4'-P energy: -10.903
tors. eta vs tors. theta energy: -22.131
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: 1
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -146.994193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.994193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.994193 (E_RNA)
where:
Base-Base interactions energy: -87.053
where: short stacking energy: -44.430
Base-Backbone interact. energy: -0.235
local terms energy: -59.706455
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -11.247
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -7.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -92.439622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.439622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.439622 (E_RNA)
where:
Base-Base interactions energy: -35.614
where: short stacking energy: -35.614
Base-Backbone interact. energy: -0.192
local terms energy: -56.634431
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -4.928
tors. eta vs tors. theta energy: -5.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -80.745394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.745394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.745394 (E_RNA)
where:
Base-Base interactions energy: -29.099
where: short stacking energy: -26.463
Base-Backbone interact. energy: -0.268
local terms energy: -51.377910
where:
bonds (distance) C4'-P energy: -9.023
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -9.480
flat angles P-C4'-P energy: -12.039
tors. eta vs tors. theta energy: -6.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -80.131282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.131282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.131282 (E_RNA)
where:
Base-Base interactions energy: -35.444
where: short stacking energy: -24.423
Base-Backbone interact. energy: -0.173
local terms energy: -44.513441
where:
bonds (distance) C4'-P energy: -11.210
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -11.061
flat angles P-C4'-P energy: -5.283
tors. eta vs tors. theta energy: 0.265
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: 2
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -232.054194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.054194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.054194 (E_RNA)
where:
Base-Base interactions energy: -154.254
where: short stacking energy: -77.528
Base-Backbone interact. energy: -0.432
local terms energy: -77.368186
where:
bonds (distance) C4'-P energy: -14.324
bonds (distance) P-C4' energy: -12.168
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -11.278
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: 2, replica: 3
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -226.446366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.446366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.446366 (E_RNA)
where:
Base-Base interactions energy: -148.730
where: short stacking energy: -70.796
Base-Backbone interact. energy: -0.004
local terms energy: -77.711825
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -14.751
flat angles C4'-P-C4' energy: -17.146
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -19.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -222.225476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.225476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.225476 (E_RNA)
where:
Base-Base interactions energy: -142.879
where: short stacking energy: -66.177
Base-Backbone interact. energy: -0.154
local terms energy: -79.192155
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -13.174
tors. eta vs tors. theta energy: -20.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -216.833808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.833808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.833808 (E_RNA)
where:
Base-Base interactions energy: -146.546
where: short stacking energy: -70.186
Base-Backbone interact. energy: -0.003
local terms energy: -70.284877
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -9.681
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: -19.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -191.793227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.793227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.793227 (E_RNA)
where:
Base-Base interactions energy: -123.665
where: short stacking energy: -55.587
Base-Backbone interact. energy: -0.530
local terms energy: -67.598462
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -12.650
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: 6, replica: 6
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -210.390237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.390237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.390237 (E_RNA)
where:
Base-Base interactions energy: -131.436
where: short stacking energy: -65.766
Base-Backbone interact. energy: -0.000
local terms energy: -78.954121
where:
bonds (distance) C4'-P energy: -12.270
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -12.304
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: 7, replica: 1
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -140.829873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.829873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.829873 (E_RNA)
where:
Base-Base interactions energy: -82.147
where: short stacking energy: -39.701
Base-Backbone interact. energy: -0.329
local terms energy: -58.353848
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -7.127
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: 5
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -95.604399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.604399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.604399 (E_RNA)
where:
Base-Base interactions energy: -41.060
where: short stacking energy: -37.589
Base-Backbone interact. energy: -0.754
local terms energy: -53.790268
where:
bonds (distance) C4'-P energy: -11.270
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -12.020
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -7.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -81.367072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.367072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.367072 (E_RNA)
where:
Base-Base interactions energy: -29.372
where: short stacking energy: -28.429
Base-Backbone interact. energy: -0.021
local terms energy: -51.973505
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -11.405
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -3.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -83.749919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.749919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.749919 (E_RNA)
where:
Base-Base interactions energy: -32.379
where: short stacking energy: -30.042
Base-Backbone interact. energy: -0.149
local terms energy: -51.222163
where:
bonds (distance) C4'-P energy: -11.445
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -10.120
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -3.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -227.777629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.777629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.777629 (E_RNA)
where:
Base-Base interactions energy: -145.992
where: short stacking energy: -79.807
Base-Backbone interact. energy: -0.004
local terms energy: -81.781898
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -17.470
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: -23.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -232.663219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.663219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.663219 (E_RNA)
where:
Base-Base interactions energy: -151.690
where: short stacking energy: -73.256
Base-Backbone interact. energy: -0.696
local terms energy: -80.276826
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -21.016
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: 10
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -217.308055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.308055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.308055 (E_RNA)
where:
Base-Base interactions energy: -147.594
where: short stacking energy: -74.976
Base-Backbone interact. energy: -0.161
local terms energy: -69.553316
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -11.502
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -20.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -215.886015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.886015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.886015 (E_RNA)
where:
Base-Base interactions energy: -142.483
where: short stacking energy: -62.514
Base-Backbone interact. energy: -0.005
local terms energy: -73.397618
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -17.188
flat angles P-C4'-P energy: -6.567
tors. eta vs tors. theta energy: -17.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -208.540668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.540668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.540668 (E_RNA)
where:
Base-Base interactions energy: -132.348
where: short stacking energy: -68.012
Base-Backbone interact. energy: 0.739
local terms energy: -76.931398
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -17.719
flat angles P-C4'-P energy: -9.963
tors. eta vs tors. theta energy: -18.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -185.303403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.303403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.303403 (E_RNA)
where:
Base-Base interactions energy: -119.653
where: short stacking energy: -61.206
Base-Backbone interact. energy: -0.009
local terms energy: -65.641134
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -13.623
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -17.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -147.394153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.394153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.394153 (E_RNA)
where:
Base-Base interactions energy: -100.111
where: short stacking energy: -48.352
Base-Backbone interact. energy: -0.042
local terms energy: -47.241823
where:
bonds (distance) C4'-P energy: -15.073
bonds (distance) P-C4' energy: -10.210
flat angles C4'-P-C4' energy: -8.892
flat angles P-C4'-P energy: -6.118
tors. eta vs tors. theta energy: -6.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -82.278291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.278291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.278291 (E_RNA)
where:
Base-Base interactions energy: -31.632
where: short stacking energy: -28.777
Base-Backbone interact. energy: -0.083
local terms energy: -50.563157
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -9.228
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -10.780
tors. eta vs tors. theta energy: -1.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -88.667317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.667317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.667317 (E_RNA)
where:
Base-Base interactions energy: -31.809
where: short stacking energy: -31.809
Base-Backbone interact. energy: -0.118
local terms energy: -56.740555
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -4.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -72.290741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.290741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.290741 (E_RNA)
where:
Base-Base interactions energy: -24.336
where: short stacking energy: -24.336
Base-Backbone interact. energy: -0.086
local terms energy: -47.868666
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -11.546
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -6.641
tors. eta vs tors. theta energy: 0.299
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: 3
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -231.903022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.903022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.903022 (E_RNA)
where:
Base-Base interactions energy: -153.222
where: short stacking energy: -81.951
Base-Backbone interact. energy: -2.429
local terms energy: -76.252380
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -21.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -223.020794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.020794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.020794 (E_RNA)
where:
Base-Base interactions energy: -147.773
where: short stacking energy: -71.814
Base-Backbone interact. energy: -0.384
local terms energy: -74.864206
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -10.521
flat angles C4'-P-C4' energy: -16.603
flat angles P-C4'-P energy: -14.554
tors. eta vs tors. theta energy: -19.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -227.899785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.899785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.899785 (E_RNA)
where:
Base-Base interactions energy: -145.313
where: short stacking energy: -74.669
Base-Backbone interact. energy: -0.190
local terms energy: -82.396296
where:
bonds (distance) C4'-P energy: -13.938
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -17.451
flat angles P-C4'-P energy: -13.761
tors. eta vs tors. theta energy: -22.099
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: 375
Temperature: 1.050000
Total energy: -215.429816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.429816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.429816 (E_RNA)
where:
Base-Base interactions energy: -139.195
where: short stacking energy: -71.448
Base-Backbone interact. energy: 0.040
local terms energy: -76.275015
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -11.682
tors. eta vs tors. theta energy: -19.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -208.811150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.811150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.811150 (E_RNA)
where:
Base-Base interactions energy: -136.482
where: short stacking energy: -65.037
Base-Backbone interact. energy: -0.543
local terms energy: -71.786013
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -14.768
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -18.459
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: 7
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -190.311043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.311043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.311043 (E_RNA)
where:
Base-Base interactions energy: -122.970
where: short stacking energy: -56.752
Base-Backbone interact. energy: -0.007
local terms energy: -67.333439
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -12.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -147.977687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.977687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.977687 (E_RNA)
where:
Base-Base interactions energy: -93.789
where: short stacking energy: -42.158
Base-Backbone interact. energy: 2.732
local terms energy: -56.921029
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -10.650
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -13.302
tors. eta vs tors. theta energy: -7.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -83.500526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.500526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.500526 (E_RNA)
where:
Base-Base interactions energy: -33.486
where: short stacking energy: -33.486
Base-Backbone interact. energy: 0.265
local terms energy: -50.279004
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -9.067
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -5.528
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: 9
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -76.918356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.918356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.918356 (E_RNA)
where:
Base-Base interactions energy: -28.664
where: short stacking energy: -25.875
Base-Backbone interact. energy: -0.116
local terms energy: -48.138542
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -10.727
flat angles P-C4'-P energy: -4.573
tors. eta vs tors. theta energy: -5.612
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: 10, replica: 4
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -80.382777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.382777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.382777 (E_RNA)
where:
Base-Base interactions energy: -30.056
where: short stacking energy: -24.578
Base-Backbone interact. energy: -0.144
local terms energy: -50.183321
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -9.211
flat angles P-C4'-P energy: -12.464
tors. eta vs tors. theta energy: -0.246
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: 1, replica: 10
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -238.191340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.191340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.191340 (E_RNA)
where:
Base-Base interactions energy: -153.555
where: short stacking energy: -70.648
Base-Backbone interact. energy: -0.093
local terms energy: -84.543279
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -14.678
tors. eta vs tors. theta energy: -19.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -229.002942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.002942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.002942 (E_RNA)
where:
Base-Base interactions energy: -148.254
where: short stacking energy: -72.525
Base-Backbone interact. energy: -0.541
local terms energy: -80.207964
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -20.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -219.905647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.905647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.905647 (E_RNA)
where:
Base-Base interactions energy: -148.363
where: short stacking energy: -70.306
Base-Backbone interact. energy: -0.283
local terms energy: -71.259625
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -18.217
flat angles P-C4'-P energy: -9.525
tors. eta vs tors. theta energy: -17.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -218.923003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.923003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.923003 (E_RNA)
where:
Base-Base interactions energy: -143.895
where: short stacking energy: -67.272
Base-Backbone interact. energy: -0.247
local terms energy: -74.781256
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -12.597
tors. eta vs tors. theta energy: -20.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -196.445026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.445026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.445026 (E_RNA)
where:
Base-Base interactions energy: -133.019
where: short stacking energy: -64.123
Base-Backbone interact. energy: -0.069
local terms energy: -63.357754
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -15.059
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -8.924
tors. eta vs tors. theta energy: -11.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -205.149605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.149605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.149605 (E_RNA)
where:
Base-Base interactions energy: -130.099
where: short stacking energy: -67.038
Base-Backbone interact. energy: -0.154
local terms energy: -74.896531
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: -20.530
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: 1
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -147.740265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.740265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.740265 (E_RNA)
where:
Base-Base interactions energy: -96.153
where: short stacking energy: -51.510
Base-Backbone interact. energy: -0.006
local terms energy: -51.581125
where:
bonds (distance) C4'-P energy: -10.383
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -4.091
tors. eta vs tors. theta energy: -9.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -86.831093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.831093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.831093 (E_RNA)
where:
Base-Base interactions energy: -34.927
where: short stacking energy: -33.669
Base-Backbone interact. energy: -0.166
local terms energy: -51.738026
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -13.678
flat angles C4'-P-C4' energy: -9.131
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -5.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -85.523267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.523267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.523267 (E_RNA)
where:
Base-Base interactions energy: -29.321
where: short stacking energy: -29.321
Base-Backbone interact. energy: -0.042
local terms energy: -56.160642
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -9.095
tors. eta vs tors. theta energy: -4.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -76.447406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.447406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.447406 (E_RNA)
where:
Base-Base interactions energy: -31.849
where: short stacking energy: -30.114
Base-Backbone interact. energy: 1.321
local terms energy: -45.919641
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -12.266
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -3.065
tors. eta vs tors. theta energy: -2.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -226.600674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.600674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.600674 (E_RNA)
where:
Base-Base interactions energy: -152.883
where: short stacking energy: -63.863
Base-Backbone interact. energy: -1.967
local terms energy: -71.750709
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -11.134
tors. eta vs tors. theta energy: -15.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -224.860089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.860089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.860089 (E_RNA)
where:
Base-Base interactions energy: -147.587
where: short stacking energy: -66.454
Base-Backbone interact. energy: -0.418
local terms energy: -76.855081
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -20.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -224.890745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.890745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.890745 (E_RNA)
where:
Base-Base interactions energy: -149.865
where: short stacking energy: -70.859
Base-Backbone interact. energy: -0.763
local terms energy: -74.263419
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -18.460
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: 4, replica: 7
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -196.174681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.174681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.174681 (E_RNA)
where:
Base-Base interactions energy: -127.739
where: short stacking energy: -62.278
Base-Backbone interact. energy: -0.010
local terms energy: -68.425984
where:
bonds (distance) C4'-P energy: -11.936
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: -16.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -217.236921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.236921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.236921 (E_RNA)
where:
Base-Base interactions energy: -144.022
where: short stacking energy: -70.940
Base-Backbone interact. energy: -0.001
local terms energy: -73.213726
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -10.743
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -20.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -182.102816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.102816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.102816 (E_RNA)
where:
Base-Base interactions energy: -124.334
where: short stacking energy: -53.990
Base-Backbone interact. energy: 0.186
local terms energy: -57.955205
where:
bonds (distance) C4'-P energy: -12.241
bonds (distance) P-C4' energy: -6.795
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -7.987
tors. eta vs tors. theta energy: -15.130
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: 6
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -178.875381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.875381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.875381 (E_RNA)
where:
Base-Base interactions energy: -116.213
where: short stacking energy: -54.087
Base-Backbone interact. energy: -0.076
local terms energy: -62.586129
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: -8.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -95.482655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.482655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.482655 (E_RNA)
where:
Base-Base interactions energy: -39.207
where: short stacking energy: -25.866
Base-Backbone interact. energy: -0.049
local terms energy: -56.226676
where:
bonds (distance) C4'-P energy: -11.196
bonds (distance) P-C4' energy: -11.197
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: -3.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -91.164455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.164455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.164455 (E_RNA)
where:
Base-Base interactions energy: -29.899
where: short stacking energy: -28.268
Base-Backbone interact. energy: -0.176
local terms energy: -61.088979
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -17.439
flat angles P-C4'-P energy: -5.152
tors. eta vs tors. theta energy: -8.438
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: 9
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -77.091552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.091552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.091552 (E_RNA)
where:
Base-Base interactions energy: -27.809
where: short stacking energy: -26.260
Base-Backbone interact. energy: -0.198
local terms energy: -49.084306
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -10.528
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -1.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -229.998002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.998002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.998002 (E_RNA)
where:
Base-Base interactions energy: -153.923
where: short stacking energy: -71.351
Base-Backbone interact. energy: -0.002
local terms energy: -76.072882
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -12.040
tors. eta vs tors. theta energy: -20.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -224.574248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.574248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.574248 (E_RNA)
where:
Base-Base interactions energy: -141.591
where: short stacking energy: -69.085
Base-Backbone interact. energy: -0.491
local terms energy: -82.491579
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -17.406
flat angles P-C4'-P energy: -10.965
tors. eta vs tors. theta energy: -21.687
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: 7
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -221.838915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.838915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.838915 (E_RNA)
where:
Base-Base interactions energy: -145.966
where: short stacking energy: -74.047
Base-Backbone interact. energy: -0.012
local terms energy: -75.861302
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -17.264
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -20.221
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: 4, replica: 8
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -206.906459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.906459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.906459 (E_RNA)
where:
Base-Base interactions energy: -136.210
where: short stacking energy: -66.615
Base-Backbone interact. energy: 1.728
local terms energy: -72.423990
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -15.376
flat angles C4'-P-C4' energy: -18.137
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -14.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -168.079394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.079394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.079394 (E_RNA)
where:
Base-Base interactions energy: -106.887
where: short stacking energy: -53.512
Base-Backbone interact. energy: -0.207
local terms energy: -60.985646
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -13.269
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -10.147
tors. eta vs tors. theta energy: -11.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -207.123394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.123394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.123394 (E_RNA)
where:
Base-Base interactions energy: -135.982
where: short stacking energy: -64.440
Base-Backbone interact. energy: -0.034
local terms energy: -71.107690
where:
bonds (distance) C4'-P energy: -11.114
bonds (distance) P-C4' energy: -10.933
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -21.383
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: 7, replica: 5
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -92.786716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.786716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.786716 (E_RNA)
where:
Base-Base interactions energy: -37.703
where: short stacking energy: -36.735
Base-Backbone interact. energy: -0.148
local terms energy: -54.935929
where:
bonds (distance) C4'-P energy: -9.964
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -11.825
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: -9.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -196.019424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.019424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.019424 (E_RNA)
where:
Base-Base interactions energy: -128.808
where: short stacking energy: -60.268
Base-Backbone interact. energy: -0.010
local terms energy: -67.201842
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -15.257
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -6.298
tors. eta vs tors. theta energy: -15.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -77.394193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.394193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.394193 (E_RNA)
where:
Base-Base interactions energy: -26.549
where: short stacking energy: -24.963
Base-Backbone interact. energy: -0.987
local terms energy: -49.858121
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: -1.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -82.092580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.092580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.092580 (E_RNA)
where:
Base-Base interactions energy: -35.156
where: short stacking energy: -35.156
Base-Backbone interact. energy: -0.027
local terms energy: -46.909373
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -7.770
flat angles C4'-P-C4' energy: -8.644
flat angles P-C4'-P energy: -8.337
tors. eta vs tors. theta energy: -7.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -230.025443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.025443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.025443 (E_RNA)
where:
Base-Base interactions energy: -150.517
where: short stacking energy: -71.940
Base-Backbone interact. energy: -0.012
local terms energy: -79.495853
where:
bonds (distance) C4'-P energy: -16.573
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -13.187
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: 2, replica: 7
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -227.333517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.333517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.333517 (E_RNA)
where:
Base-Base interactions energy: -145.624
where: short stacking energy: -73.817
Base-Backbone interact. energy: -0.039
local terms energy: -81.670454
where:
bonds (distance) C4'-P energy: -16.860
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -17.542
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: -21.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -219.616632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.616632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.616632 (E_RNA)
where:
Base-Base interactions energy: -142.418
where: short stacking energy: -72.568
Base-Backbone interact. energy: -0.492
local terms energy: -76.706561
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -17.423
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -21.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -213.586235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.586235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.586235 (E_RNA)
where:
Base-Base interactions energy: -151.127
where: short stacking energy: -66.194
Base-Backbone interact. energy: 5.650
local terms energy: -68.109966
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -13.369
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -16.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -180.763438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.763438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.763438 (E_RNA)
where:
Base-Base interactions energy: -108.987
where: short stacking energy: -54.187
Base-Backbone interact. energy: -0.269
local terms energy: -71.507760
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -15.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -207.783122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.783122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.783122 (E_RNA)
where:
Base-Base interactions energy: -125.678
where: short stacking energy: -67.109
Base-Backbone interact. energy: -0.030
local terms energy: -82.074904
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -17.196
flat angles P-C4'-P energy: -12.172
tors. eta vs tors. theta energy: -22.865
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: 5
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -107.191389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.191389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.191389 (E_RNA)
where:
Base-Base interactions energy: -52.376
where: short stacking energy: -32.667
Base-Backbone interact. energy: -0.331
local terms energy: -54.484028
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -11.494
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -4.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -204.944019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.944019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.944019 (E_RNA)
where:
Base-Base interactions energy: -134.831
where: short stacking energy: -64.202
Base-Backbone interact. energy: -0.859
local terms energy: -69.254796
where:
bonds (distance) C4'-P energy: -10.699
bonds (distance) P-C4' energy: -14.873
flat angles C4'-P-C4' energy: -15.098
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -19.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -86.685061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.685061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.685061 (E_RNA)
where:
Base-Base interactions energy: -31.070
where: short stacking energy: -26.062
Base-Backbone interact. energy: -0.040
local terms energy: -55.574404
where:
bonds (distance) C4'-P energy: -8.666
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -12.877
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: -7.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -90.415569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.415569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.415569 (E_RNA)
where:
Base-Base interactions energy: -34.888
where: short stacking energy: -30.442
Base-Backbone interact. energy: -0.717
local terms energy: -54.810965
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -13.051
flat angles C4'-P-C4' energy: -8.911
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -7.716
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: 7
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -232.991533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.991533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.991533 (E_RNA)
where:
Base-Base interactions energy: -155.922
where: short stacking energy: -79.463
Base-Backbone interact. energy: -0.020
local terms energy: -77.049419
where:
bonds (distance) C4'-P energy: -8.635
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -18.773
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -21.890
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: 3
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -221.516311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.516311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.516311 (E_RNA)
where:
Base-Base interactions energy: -150.675
where: short stacking energy: -74.809
Base-Backbone interact. energy: -0.003
local terms energy: -70.838458
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -10.773
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -11.404
tors. eta vs tors. theta energy: -21.511
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: 10
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -221.096462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.096462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.096462 (E_RNA)
where:
Base-Base interactions energy: -144.234
where: short stacking energy: -76.490
Base-Backbone interact. energy: -0.474
local terms energy: -76.388475
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -12.845
tors. eta vs tors. theta energy: -18.853
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: 8
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -216.842757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.842757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.842757 (E_RNA)
where:
Base-Base interactions energy: -137.147
where: short stacking energy: -70.316
Base-Backbone interact. energy: -0.358
local terms energy: -79.338176
where:
bonds (distance) C4'-P energy: -13.587
bonds (distance) P-C4' energy: -14.280
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: -23.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -201.651922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.651922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.651922 (E_RNA)
where:
Base-Base interactions energy: -131.118
where: short stacking energy: -67.647
Base-Backbone interact. energy: -0.291
local terms energy: -70.243137
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -12.980
flat angles C4'-P-C4' energy: -15.290
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: -18.118
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: 1
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -182.384204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.384204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.384204 (E_RNA)
where:
Base-Base interactions energy: -112.492
where: short stacking energy: -51.392
Base-Backbone interact. energy: -0.001
local terms energy: -69.891167
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -11.566
flat angles C4'-P-C4' energy: -18.320
flat angles P-C4'-P energy: -8.954
tors. eta vs tors. theta energy: -16.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -205.407318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.407318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.407318 (E_RNA)
where:
Base-Base interactions energy: -128.331
where: short stacking energy: -67.505
Base-Backbone interact. energy: -0.051
local terms energy: -77.025701
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -15.528
flat angles C4'-P-C4' energy: -17.907
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -18.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -92.337616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.337616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.337616 (E_RNA)
where:
Base-Base interactions energy: -43.558
where: short stacking energy: -30.582
Base-Backbone interact. energy: -0.314
local terms energy: -48.464803
where:
bonds (distance) C4'-P energy: -12.020
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -10.213
flat angles P-C4'-P energy: -7.757
tors. eta vs tors. theta energy: -5.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -93.318652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.318652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.318652 (E_RNA)
where:
Base-Base interactions energy: -48.153
where: short stacking energy: -34.536
Base-Backbone interact. energy: 0.078
local terms energy: -45.244231
where:
bonds (distance) C4'-P energy: -9.702
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -5.464
tors. eta vs tors. theta energy: -1.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -82.098461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.098461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.098461 (E_RNA)
where:
Base-Base interactions energy: -33.236
where: short stacking energy: -33.236
Base-Backbone interact. energy: -0.079
local terms energy: -48.783553
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -13.516
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -0.960
tors. eta vs tors. theta energy: -5.158
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: 1, replica: 7
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -232.919551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.919551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.919551 (E_RNA)
where:
Base-Base interactions energy: -152.004
where: short stacking energy: -79.066
Base-Backbone interact. energy: -0.261
local terms energy: -80.654922
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -14.743
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: -21.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -220.033169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.033169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.033169 (E_RNA)
where:
Base-Base interactions energy: -139.398
where: short stacking energy: -66.973
Base-Backbone interact. energy: -0.000
local terms energy: -80.634490
where:
bonds (distance) C4'-P energy: -17.604
bonds (distance) P-C4' energy: -13.975
flat angles C4'-P-C4' energy: -16.678
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -20.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -214.906051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.906051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.906051 (E_RNA)
where:
Base-Base interactions energy: -145.205
where: short stacking energy: -72.913
Base-Backbone interact. energy: 1.843
local terms energy: -71.543865
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -8.801
tors. eta vs tors. theta energy: -15.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -215.259610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.259610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.259610 (E_RNA)
where:
Base-Base interactions energy: -137.713
where: short stacking energy: -68.587
Base-Backbone interact. energy: -0.152
local terms energy: -77.393863
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -19.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -212.499403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.499403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.499403 (E_RNA)
where:
Base-Base interactions energy: -141.305
where: short stacking energy: -67.790
Base-Backbone interact. energy: 1.730
local terms energy: -72.923818
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -12.179
tors. eta vs tors. theta energy: -15.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -174.756524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.756524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.756524 (E_RNA)
where:
Base-Base interactions energy: -105.630
where: short stacking energy: -49.235
Base-Backbone interact. energy: -0.093
local terms energy: -69.033447
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -12.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -197.132503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.132503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.132503 (E_RNA)
where:
Base-Base interactions energy: -123.570
where: short stacking energy: -63.080
Base-Backbone interact. energy: -0.004
local terms energy: -73.559118
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: -19.772
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: 4
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -79.757633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.757633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.757633 (E_RNA)
where:
Base-Base interactions energy: -29.437
where: short stacking energy: -29.437
Base-Backbone interact. energy: -0.153
local terms energy: -50.168458
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -8.919
flat angles P-C4'-P energy: -7.676
tors. eta vs tors. theta energy: -4.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -75.592400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.592400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.592400 (E_RNA)
where:
Base-Base interactions energy: -29.980
where: short stacking energy: -21.028
Base-Backbone interact. energy: -0.274
local terms energy: -45.338711
where:
bonds (distance) C4'-P energy: -11.170
bonds (distance) P-C4' energy: -11.928
flat angles C4'-P-C4' energy: -11.120
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -0.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -75.262174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.262174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.262174 (E_RNA)
where:
Base-Base interactions energy: -27.033
where: short stacking energy: -19.984
Base-Backbone interact. energy: -0.193
local terms energy: -48.036466
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -10.996
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -0.249
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: 1, replica: 10
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -227.174023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.174023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.174023 (E_RNA)
where:
Base-Base interactions energy: -148.454
where: short stacking energy: -79.166
Base-Backbone interact. energy: -0.617
local terms energy: -78.102625
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -17.799
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -20.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -227.940822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.940822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.940822 (E_RNA)
where:
Base-Base interactions energy: -146.024
where: short stacking energy: -75.243
Base-Backbone interact. energy: -0.363
local terms energy: -81.553964
where:
bonds (distance) C4'-P energy: -9.594
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -17.298
flat angles P-C4'-P energy: -14.430
tors. eta vs tors. theta energy: -24.258
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: 3
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -213.033984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.033984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.033984 (E_RNA)
where:
Base-Base interactions energy: -136.409
where: short stacking energy: -68.354
Base-Backbone interact. energy: -0.093
local terms energy: -76.531912
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -18.266
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -17.367
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: 8
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -204.867147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.867147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.867147 (E_RNA)
where:
Base-Base interactions energy: -136.133
where: short stacking energy: -63.794
Base-Backbone interact. energy: -0.000
local terms energy: -68.733666
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -17.408
flat angles C4'-P-C4' energy: -12.865
flat angles P-C4'-P energy: -7.074
tors. eta vs tors. theta energy: -16.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -216.393555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.393555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.393555 (E_RNA)
where:
Base-Base interactions energy: -146.604
where: short stacking energy: -70.734
Base-Backbone interact. energy: -0.599
local terms energy: -69.190385
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -13.202
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -16.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -175.232427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.232427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.232427 (E_RNA)
where:
Base-Base interactions energy: -115.930
where: short stacking energy: -52.159
Base-Backbone interact. energy: -0.044
local terms energy: -59.258170
where:
bonds (distance) C4'-P energy: -8.685
bonds (distance) P-C4' energy: -11.091
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -11.628
tors. eta vs tors. theta energy: -13.989
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: 6
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -202.300076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.300076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.300076 (E_RNA)
where:
Base-Base interactions energy: -130.894
where: short stacking energy: -70.432
Base-Backbone interact. energy: -0.249
local terms energy: -71.156331
where:
bonds (distance) C4'-P energy: -11.109
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -16.211
flat angles P-C4'-P energy: -14.042
tors. eta vs tors. theta energy: -13.954
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: 8, replica: 4
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -77.369869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.369869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.369869 (E_RNA)
where:
Base-Base interactions energy: -28.582
where: short stacking energy: -24.214
Base-Backbone interact. energy: -0.011
local terms energy: -48.777599
where:
bonds (distance) C4'-P energy: -12.847
bonds (distance) P-C4' energy: -13.382
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: 0.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -138.140031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.140031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.140031 (E_RNA)
where:
Base-Base interactions energy: -79.749
where: short stacking energy: -34.383
Base-Backbone interact. energy: -1.131
local terms energy: -57.259964
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -3.958
tors. eta vs tors. theta energy: -8.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -72.957291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.957291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.957291 (E_RNA)
where:
Base-Base interactions energy: -26.856
where: short stacking energy: -28.156
Base-Backbone interact. energy: -0.184
local terms energy: -45.917063
where:
bonds (distance) C4'-P energy: -11.504
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -11.130
flat angles P-C4'-P energy: -5.672
tors. eta vs tors. theta energy: -2.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -224.890667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.890667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.890667 (E_RNA)
where:
Base-Base interactions energy: -147.312
where: short stacking energy: -74.608
Base-Backbone interact. energy: -0.640
local terms energy: -76.939082
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -12.800
tors. eta vs tors. theta energy: -19.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -226.815405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.815405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.815405 (E_RNA)
where:
Base-Base interactions energy: -148.941
where: short stacking energy: -70.759
Base-Backbone interact. energy: -0.010
local terms energy: -77.864160
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -16.412
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -20.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -222.730080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.730080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.730080 (E_RNA)
where:
Base-Base interactions energy: -151.625
where: short stacking energy: -75.195
Base-Backbone interact. energy: -0.094
local terms energy: -71.010715
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -18.826
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: 2
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -213.702489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.702489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.702489 (E_RNA)
where:
Base-Base interactions energy: -144.737
where: short stacking energy: -61.026
Base-Backbone interact. energy: -0.142
local terms energy: -68.823387
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -6.041
tors. eta vs tors. theta energy: -17.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -193.862897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.862897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.862897 (E_RNA)
where:
Base-Base interactions energy: -129.275
where: short stacking energy: -58.854
Base-Backbone interact. energy: -0.134
local terms energy: -64.453614
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -13.983
flat angles P-C4'-P energy: -5.463
tors. eta vs tors. theta energy: -18.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -185.491961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.491961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.491961 (E_RNA)
where:
Base-Base interactions energy: -116.755
where: short stacking energy: -54.908
Base-Backbone interact. energy: -0.097
local terms energy: -68.639689
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -7.659
tors. eta vs tors. theta energy: -16.425
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: 383
Temperature: 1.200000
Total energy: -173.023675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.023675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.023675 (E_RNA)
where:
Base-Base interactions energy: -110.341
where: short stacking energy: -46.486
Base-Backbone interact. energy: 1.618
local terms energy: -64.300767
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -14.494
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -13.140
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: 8, replica: 5
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -137.884477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.884477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.884477 (E_RNA)
where:
Base-Base interactions energy: -78.182
where: short stacking energy: -38.964
Base-Backbone interact. energy: -0.198
local terms energy: -59.505202
where:
bonds (distance) C4'-P energy: -8.671
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -6.996
tors. eta vs tors. theta energy: -10.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -83.056403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.056403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.056403 (E_RNA)
where:
Base-Base interactions energy: -29.252
where: short stacking energy: -27.657
Base-Backbone interact. energy: 0.296
local terms energy: -54.100577
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -5.490
tors. eta vs tors. theta energy: -7.295
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: 10, replica: 9
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -84.803342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.803342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.803342 (E_RNA)
where:
Base-Base interactions energy: -32.470
where: short stacking energy: -32.470
Base-Backbone interact. energy: -0.106
local terms energy: -52.227268
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -5.600
tors. eta vs tors. theta energy: -4.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -235.172767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.172767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.172767 (E_RNA)
where:
Base-Base interactions energy: -153.944
where: short stacking energy: -73.532
Base-Backbone interact. energy: -0.161
local terms energy: -81.067840
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -15.366
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -23.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -228.648091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.648091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.648091 (E_RNA)
where:
Base-Base interactions energy: -151.978
where: short stacking energy: -71.183
Base-Backbone interact. energy: -0.001
local terms energy: -76.669886
where:
bonds (distance) C4'-P energy: -10.825
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -18.182
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -21.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -197.844603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.844603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.844603 (E_RNA)
where:
Base-Base interactions energy: -129.655
where: short stacking energy: -65.775
Base-Backbone interact. energy: -0.001
local terms energy: -68.188374
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -16.074
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -14.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -218.371147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.371147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.371147 (E_RNA)
where:
Base-Base interactions energy: -142.403
where: short stacking energy: -70.637
Base-Backbone interact. energy: -0.001
local terms energy: -75.967970
where:
bonds (distance) C4'-P energy: -17.174
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: -20.311
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: 5, replica: 6
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -220.918903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.918903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.918903 (E_RNA)
where:
Base-Base interactions energy: -143.930
where: short stacking energy: -63.225
Base-Backbone interact. energy: -0.104
local terms energy: -76.885313
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -12.851
tors. eta vs tors. theta energy: -16.214
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: 8
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -203.396318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.396318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.396318 (E_RNA)
where:
Base-Base interactions energy: -136.536
where: short stacking energy: -65.104
Base-Backbone interact. energy: -0.054
local terms energy: -66.805825
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -14.415
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: 1
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -156.062839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.062839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.062839 (E_RNA)
where:
Base-Base interactions energy: -95.883
where: short stacking energy: -40.011
Base-Backbone interact. energy: -0.127
local terms energy: -60.052654
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -12.816
flat angles C4'-P-C4' energy: -12.462
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -10.941
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: 5
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -150.837329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.837329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.837329 (E_RNA)
where:
Base-Base interactions energy: -84.220
where: short stacking energy: -45.674
Base-Backbone interact. energy: -0.072
local terms energy: -66.544870
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -11.818
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -14.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -80.622518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.622518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.622518 (E_RNA)
where:
Base-Base interactions energy: -25.557
where: short stacking energy: -25.095
Base-Backbone interact. energy: -0.144
local terms energy: -54.920942
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -13.541
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: -2.582
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: 4
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -72.707771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.707771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.707771 (E_RNA)
where:
Base-Base interactions energy: -26.174
where: short stacking energy: -20.418
Base-Backbone interact. energy: -0.957
local terms energy: -45.575995
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -9.354
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: 2.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -232.347753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.347753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.347753 (E_RNA)
where:
Base-Base interactions energy: -150.631
where: short stacking energy: -72.754
Base-Backbone interact. energy: -0.003
local terms energy: -81.713615
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -15.673
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: -23.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -225.506759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.506759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.506759 (E_RNA)
where:
Base-Base interactions energy: -151.324
where: short stacking energy: -67.202
Base-Backbone interact. energy: -0.005
local terms energy: -74.178230
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -18.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -212.181980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.181980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.181980 (E_RNA)
where:
Base-Base interactions energy: -148.224
where: short stacking energy: -62.992
Base-Backbone interact. energy: -0.692
local terms energy: -63.266357
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -11.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -226.525784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.525784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.525784 (E_RNA)
where:
Base-Base interactions energy: -146.329
where: short stacking energy: -69.439
Base-Backbone interact. energy: -0.018
local terms energy: -80.178282
where:
bonds (distance) C4'-P energy: -13.323
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -12.677
tors. eta vs tors. theta energy: -19.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -226.940143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.940143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.940143 (E_RNA)
where:
Base-Base interactions energy: -151.658
where: short stacking energy: -73.441
Base-Backbone interact. energy: -0.053
local terms energy: -75.229977
where:
bonds (distance) C4'-P energy: -12.868
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: -19.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -190.691515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.691515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.691515 (E_RNA)
where:
Base-Base interactions energy: -124.697
where: short stacking energy: -52.207
Base-Backbone interact. energy: 0.288
local terms energy: -66.282077
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -13.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -132.256843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.256843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.256843 (E_RNA)
where:
Base-Base interactions energy: -89.875
where: short stacking energy: -38.910
Base-Backbone interact. energy: -0.411
local terms energy: -41.971131
where:
bonds (distance) C4'-P energy: -12.652
bonds (distance) P-C4' energy: -13.830
flat angles C4'-P-C4' energy: -9.533
flat angles P-C4'-P energy: -0.629
tors. eta vs tors. theta energy: -5.327
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: 385
Temperature: 1.250000
Total energy: -100.907252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.907252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.907252 (E_RNA)
where:
Base-Base interactions energy: -42.378
where: short stacking energy: -23.154
Base-Backbone interact. energy: 1.309
local terms energy: -59.838292
where:
bonds (distance) C4'-P energy: -12.687
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -6.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -154.383027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.383027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.383027 (E_RNA)
where:
Base-Base interactions energy: -90.982
where: short stacking energy: -44.769
Base-Backbone interact. energy: -1.364
local terms energy: -62.037224
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -10.549
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -4.065
tors. eta vs tors. theta energy: -16.799
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: 385
Temperature: 1.350000
Total energy: -81.003902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.003902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.003902 (E_RNA)
where:
Base-Base interactions energy: -30.068
where: short stacking energy: -30.068
Base-Backbone interact. energy: -0.133
local terms energy: -50.802510
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -9.977
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: -1.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -231.615884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.615884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.615884 (E_RNA)
where:
Base-Base interactions energy: -153.829
where: short stacking energy: -76.748
Base-Backbone interact. energy: -0.282
local terms energy: -77.504860
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -12.793
tors. eta vs tors. theta energy: -18.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -231.976873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.976873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.976873 (E_RNA)
where:
Base-Base interactions energy: -152.867
where: short stacking energy: -73.470
Base-Backbone interact. energy: 1.351
local terms energy: -80.461744
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -17.747
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -20.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -210.325364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.325364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.325364 (E_RNA)
where:
Base-Base interactions energy: -151.713
where: short stacking energy: -67.836
Base-Backbone interact. energy: -0.229
local terms energy: -58.383497
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -11.883
flat angles C4'-P-C4' energy: -10.640
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -12.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -209.086591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.086591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.086591 (E_RNA)
where:
Base-Base interactions energy: -135.653
where: short stacking energy: -64.190
Base-Backbone interact. energy: -0.002
local terms energy: -73.430988
where:
bonds (distance) C4'-P energy: -16.188
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: -17.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -210.422216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.422216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.422216 (E_RNA)
where:
Base-Base interactions energy: -136.769
where: short stacking energy: -66.806
Base-Backbone interact. energy: 0.486
local terms energy: -74.139026
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -18.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -192.116571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.116571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.116571 (E_RNA)
where:
Base-Base interactions energy: -125.879
where: short stacking energy: -69.937
Base-Backbone interact. energy: -0.318
local terms energy: -65.920103
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -13.424
tors. eta vs tors. theta energy: -12.466
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: 7, replica: 9
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -105.410453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.410453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.410453 (E_RNA)
where:
Base-Base interactions energy: -53.074
where: short stacking energy: -44.014
Base-Backbone interact. energy: 0.091
local terms energy: -52.427591
where:
bonds (distance) C4'-P energy: -7.959
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -4.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -90.119086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.119086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.119086 (E_RNA)
where:
Base-Base interactions energy: -32.331
where: short stacking energy: -28.111
Base-Backbone interact. energy: -0.173
local terms energy: -57.614511
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -8.758
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: 9, replica: 5
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -149.932915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.932915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.932915 (E_RNA)
where:
Base-Base interactions energy: -87.188
where: short stacking energy: -41.885
Base-Backbone interact. energy: -0.770
local terms energy: -61.974772
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -8.496
tors. eta vs tors. theta energy: -7.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -86.016324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.016324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.016324 (E_RNA)
where:
Base-Base interactions energy: -37.978
where: short stacking energy: -15.087
Base-Backbone interact. energy: -0.133
local terms energy: -47.905674
where:
bonds (distance) C4'-P energy: -15.957
bonds (distance) P-C4' energy: -18.025
flat angles C4'-P-C4' energy: -7.629
flat angles P-C4'-P energy: -9.829
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: 1, replica: 10
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -231.441375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.441375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.441375 (E_RNA)
where:
Base-Base interactions energy: -151.976
where: short stacking energy: -73.194
Base-Backbone interact. energy: -0.233
local terms energy: -79.232073
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -13.423
tors. eta vs tors. theta energy: -20.144
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: 387
Temperature: 0.950000
Total energy: -212.460149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.460149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.460149 (E_RNA)
where:
Base-Base interactions energy: -136.451
where: short stacking energy: -64.872
Base-Backbone interact. energy: -0.392
local terms energy: -75.617493
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: -17.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -219.480746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.480746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.480746 (E_RNA)
where:
Base-Base interactions energy: -147.339
where: short stacking energy: -64.114
Base-Backbone interact. energy: -0.013
local terms energy: -72.128211
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -9.328
tors. eta vs tors. theta energy: -17.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -213.510500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.510500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.510500 (E_RNA)
where:
Base-Base interactions energy: -141.551
where: short stacking energy: -68.461
Base-Backbone interact. energy: -0.019
local terms energy: -71.940675
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -19.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -219.828825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.828825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.828825 (E_RNA)
where:
Base-Base interactions energy: -144.389
where: short stacking energy: -70.387
Base-Backbone interact. energy: -0.039
local terms energy: -75.400172
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -21.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -96.989305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.989305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.989305 (E_RNA)
where:
Base-Base interactions energy: -40.065
where: short stacking energy: -40.065
Base-Backbone interact. energy: -0.070
local terms energy: -56.854193
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -7.201
tors. eta vs tors. theta energy: -5.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -192.665591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.665591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.665591 (E_RNA)
where:
Base-Base interactions energy: -134.278
where: short stacking energy: -57.375
Base-Backbone interact. energy: -0.650
local terms energy: -57.737665
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: 2.142
tors. eta vs tors. theta energy: -16.899
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: 8, replica: 5
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -153.200869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.200869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.200869 (E_RNA)
where:
Base-Base interactions energy: -99.916
where: short stacking energy: -51.382
Base-Backbone interact. energy: -0.179
local terms energy: -53.106272
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -8.011
flat angles P-C4'-P energy: -5.343
tors. eta vs tors. theta energy: -12.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -80.215238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.215238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.215238 (E_RNA)
where:
Base-Base interactions energy: -35.948
where: short stacking energy: -18.652
Base-Backbone interact. energy: -0.280
local terms energy: -43.987425
where:
bonds (distance) C4'-P energy: -9.676
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -6.569
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: 4
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -75.964374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.964374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.964374 (E_RNA)
where:
Base-Base interactions energy: -19.586
where: short stacking energy: -18.978
Base-Backbone interact. energy: 0.277
local terms energy: -56.655075
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -11.808
flat angles P-C4'-P energy: -9.827
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: 10
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -229.108149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.108149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.108149 (E_RNA)
where:
Base-Base interactions energy: -149.874
where: short stacking energy: -69.812
Base-Backbone interact. energy: -0.789
local terms energy: -78.445237
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -16.095
flat angles C4'-P-C4' energy: -17.141
flat angles P-C4'-P energy: -12.832
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: 2, replica: 2
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -229.196218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.196218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.196218 (E_RNA)
where:
Base-Base interactions energy: -149.856
where: short stacking energy: -66.775
Base-Backbone interact. energy: -0.638
local terms energy: -78.702171
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -17.049
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -19.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -221.597731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.597731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.597731 (E_RNA)
where:
Base-Base interactions energy: -148.313
where: short stacking energy: -65.687
Base-Backbone interact. energy: -0.047
local terms energy: -73.237963
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: -22.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -208.484442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.484442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.484442 (E_RNA)
where:
Base-Base interactions energy: -133.382
where: short stacking energy: -65.520
Base-Backbone interact. energy: -0.749
local terms energy: -74.353664
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -19.166
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -8.642
tors. eta vs tors. theta energy: -16.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -221.787914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.787914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.787914 (E_RNA)
where:
Base-Base interactions energy: -150.161
where: short stacking energy: -71.758
Base-Backbone interact. energy: -0.002
local terms energy: -71.625581
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -15.616
flat angles C4'-P-C4' energy: -10.729
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -20.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -113.467230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.467230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.467230 (E_RNA)
where:
Base-Base interactions energy: -51.932
where: short stacking energy: -36.525
Base-Backbone interact. energy: -1.193
local terms energy: -60.342316
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -11.842
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -7.650
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: 5
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -162.891545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.891545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.891545 (E_RNA)
where:
Base-Base interactions energy: -106.790
where: short stacking energy: -48.447
Base-Backbone interact. energy: -0.090
local terms energy: -56.011829
where:
bonds (distance) C4'-P energy: -9.085
bonds (distance) P-C4' energy: -11.363
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -12.183
tors. eta vs tors. theta energy: -8.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -176.777250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.777250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.777250 (E_RNA)
where:
Base-Base interactions energy: -107.574
where: short stacking energy: -44.502
Base-Backbone interact. energy: -0.181
local terms energy: -69.022199
where:
bonds (distance) C4'-P energy: -16.169
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -10.149
tors. eta vs tors. theta energy: -9.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -90.710012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.710012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.710012 (E_RNA)
where:
Base-Base interactions energy: -38.358
where: short stacking energy: -27.735
Base-Backbone interact. energy: -0.500
local terms energy: -51.852270
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -5.937
tors. eta vs tors. theta energy: -0.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -79.154825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.154825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.154825 (E_RNA)
where:
Base-Base interactions energy: -36.656
where: short stacking energy: -24.895
Base-Backbone interact. energy: -0.517
local terms energy: -41.981972
where:
bonds (distance) C4'-P energy: -11.258
bonds (distance) P-C4' energy: -10.072
flat angles C4'-P-C4' energy: -13.126
flat angles P-C4'-P energy: -3.939
tors. eta vs tors. theta energy: -3.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -231.434088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.434088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.434088 (E_RNA)
where:
Base-Base interactions energy: -157.369
where: short stacking energy: -71.605
Base-Backbone interact. energy: 0.153
local terms energy: -74.217267
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -13.425
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: -20.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -233.316861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.316861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.316861 (E_RNA)
where:
Base-Base interactions energy: -152.282
where: short stacking energy: -71.768
Base-Backbone interact. energy: -0.065
local terms energy: -80.969453
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -15.827
flat angles C4'-P-C4' energy: -19.298
flat angles P-C4'-P energy: -12.388
tors. eta vs tors. theta energy: -19.258
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: 3
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -227.836048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.836048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.836048 (E_RNA)
where:
Base-Base interactions energy: -153.485
where: short stacking energy: -67.142
Base-Backbone interact. energy: -0.259
local terms energy: -74.092476
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -11.354
tors. eta vs tors. theta energy: -19.214
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: 7
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -208.962100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.962100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.962100 (E_RNA)
where:
Base-Base interactions energy: -141.410
where: short stacking energy: -66.992
Base-Backbone interact. energy: 0.747
local terms energy: -68.298566
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -16.271
flat angles P-C4'-P energy: -8.523
tors. eta vs tors. theta energy: -14.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -209.746215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.746215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.746215 (E_RNA)
where:
Base-Base interactions energy: -136.695
where: short stacking energy: -61.561
Base-Backbone interact. energy: -0.058
local terms energy: -72.992552
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -18.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -172.766252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.766252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.766252 (E_RNA)
where:
Base-Base interactions energy: -109.819
where: short stacking energy: -50.571
Base-Backbone interact. energy: 0.351
local terms energy: -63.298392
where:
bonds (distance) C4'-P energy: -13.595
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -13.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -96.531669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.531669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.531669 (E_RNA)
where:
Base-Base interactions energy: -44.156
where: short stacking energy: -32.190
Base-Backbone interact. energy: -0.067
local terms energy: -52.308899
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -12.900
flat angles C4'-P-C4' energy: -10.721
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -5.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -193.320906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.320906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.320906 (E_RNA)
where:
Base-Base interactions energy: -122.763
where: short stacking energy: -49.991
Base-Backbone interact. energy: -0.067
local terms energy: -70.490785
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -17.650
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -16.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -85.794587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.794587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.794587 (E_RNA)
where:
Base-Base interactions energy: -36.646
where: short stacking energy: -35.167
Base-Backbone interact. energy: -0.183
local terms energy: -48.966069
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -12.607
flat angles C4'-P-C4' energy: -10.348
flat angles P-C4'-P energy: -7.995
tors. eta vs tors. theta energy: -6.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -86.866240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.866240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.866240 (E_RNA)
where:
Base-Base interactions energy: -42.235
where: short stacking energy: -31.170
Base-Backbone interact. energy: -0.411
local terms energy: -44.220693
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -12.988
flat angles C4'-P-C4' energy: -9.758
flat angles P-C4'-P energy: -5.028
tors. eta vs tors. theta energy: -3.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -232.148601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.148601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.148601 (E_RNA)
where:
Base-Base interactions energy: -154.435
where: short stacking energy: -80.297
Base-Backbone interact. energy: -0.007
local terms energy: -77.706421
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -8.516
tors. eta vs tors. theta energy: -21.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -219.798951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.798951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.798951 (E_RNA)
where:
Base-Base interactions energy: -147.063
where: short stacking energy: -70.237
Base-Backbone interact. energy: -0.004
local terms energy: -72.732464
where:
bonds (distance) C4'-P energy: -12.601
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -19.008
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -17.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -227.666008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.666008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.666008 (E_RNA)
where:
Base-Base interactions energy: -148.662
where: short stacking energy: -68.793
Base-Backbone interact. energy: -0.362
local terms energy: -78.642231
where:
bonds (distance) C4'-P energy: -10.870
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -22.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -208.504956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.504956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.504956 (E_RNA)
where:
Base-Base interactions energy: -130.692
where: short stacking energy: -61.960
Base-Backbone interact. energy: -2.347
local terms energy: -75.465635
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -11.444
tors. eta vs tors. theta energy: -14.776
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: 5, replica: 6
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -219.812955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.812955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.812955 (E_RNA)
where:
Base-Base interactions energy: -148.055
where: short stacking energy: -73.342
Base-Backbone interact. energy: -0.038
local terms energy: -71.720591
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -10.673
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -21.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -165.162427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.162427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.162427 (E_RNA)
where:
Base-Base interactions energy: -106.308
where: short stacking energy: -47.567
Base-Backbone interact. energy: 0.591
local terms energy: -59.445147
where:
bonds (distance) C4'-P energy: -11.850
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -10.880
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -11.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -196.319398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.319398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.319398 (E_RNA)
where:
Base-Base interactions energy: -132.931
where: short stacking energy: -66.954
Base-Backbone interact. energy: -0.798
local terms energy: -62.589666
where:
bonds (distance) C4'-P energy: -9.084
bonds (distance) P-C4' energy: -9.372
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -19.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -106.357898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.357898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.357898 (E_RNA)
where:
Base-Base interactions energy: -58.302
where: short stacking energy: -31.363
Base-Backbone interact. energy: -0.012
local terms energy: -48.044400
where:
bonds (distance) C4'-P energy: -10.364
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -11.228
flat angles P-C4'-P energy: -5.767
tors. eta vs tors. theta energy: -5.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -86.561049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.561049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.561049 (E_RNA)
where:
Base-Base interactions energy: -30.447
where: short stacking energy: -30.354
Base-Backbone interact. energy: -0.712
local terms energy: -55.401595
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -6.799
tors. eta vs tors. theta energy: -4.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -89.469601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.469601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.469601 (E_RNA)
where:
Base-Base interactions energy: -28.519
where: short stacking energy: -28.519
Base-Backbone interact. energy: -0.052
local terms energy: -60.898098
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -10.880
flat angles P-C4'-P energy: -11.176
tors. eta vs tors. theta energy: -4.516
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: 2
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -238.637109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.637109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.637109 (E_RNA)
where:
Base-Base interactions energy: -153.212
where: short stacking energy: -75.598
Base-Backbone interact. energy: -1.744
local terms energy: -83.681406
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -17.459
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -24.669
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: 2, replica: 3
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -221.839620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.839620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.839620 (E_RNA)
where:
Base-Base interactions energy: -143.884
where: short stacking energy: -71.621
Base-Backbone interact. energy: -0.072
local terms energy: -77.883161
where:
bonds (distance) C4'-P energy: -12.176
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -15.410
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -21.540
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: 10
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -223.082631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.082631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.082631 (E_RNA)
where:
Base-Base interactions energy: -146.629
where: short stacking energy: -68.251
Base-Backbone interact. energy: -0.002
local terms energy: -76.451625
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -12.780
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -18.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -225.933920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.933920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.933920 (E_RNA)
where:
Base-Base interactions energy: -150.957
where: short stacking energy: -76.268
Base-Backbone interact. energy: -0.184
local terms energy: -74.792920
where:
bonds (distance) C4'-P energy: -15.929
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -9.881
tors. eta vs tors. theta energy: -21.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -194.649810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.649810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.649810 (E_RNA)
where:
Base-Base interactions energy: -128.192
where: short stacking energy: -66.337
Base-Backbone interact. energy: -0.034
local terms energy: -66.423485
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -5.647
tors. eta vs tors. theta energy: -14.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -209.788674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.788674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.788674 (E_RNA)
where:
Base-Base interactions energy: -136.216
where: short stacking energy: -70.610
Base-Backbone interact. energy: -0.000
local terms energy: -73.571968
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -13.215
tors. eta vs tors. theta energy: -18.520
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: 7, replica: 5
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -151.974176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.974176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.974176 (E_RNA)
where:
Base-Base interactions energy: -87.527
where: short stacking energy: -44.784
Base-Backbone interact. energy: -0.042
local terms energy: -64.405457
where:
bonds (distance) C4'-P energy: -17.337
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -12.056
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -10.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -100.156241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.156241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.156241 (E_RNA)
where:
Base-Base interactions energy: -46.741
where: short stacking energy: -40.874
Base-Backbone interact. energy: -0.044
local terms energy: -53.371204
where:
bonds (distance) C4'-P energy: -8.162
bonds (distance) P-C4' energy: -12.354
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -9.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -105.056343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.056343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.056343 (E_RNA)
where:
Base-Base interactions energy: -59.326
where: short stacking energy: -39.351
Base-Backbone interact. energy: -0.284
local terms energy: -45.446199
where:
bonds (distance) C4'-P energy: -6.820
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -3.188
tors. eta vs tors. theta energy: -8.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -81.201689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.201689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.201689 (E_RNA)
where:
Base-Base interactions energy: -40.870
where: short stacking energy: -30.744
Base-Backbone interact. energy: 0.355
local terms energy: -40.686367
where:
bonds (distance) C4'-P energy: -9.871
bonds (distance) P-C4' energy: -12.865
flat angles C4'-P-C4' energy: -6.832
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: -1.183
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: 3
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -224.685504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.685504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.685504 (E_RNA)
where:
Base-Base interactions energy: -151.044
where: short stacking energy: -66.394
Base-Backbone interact. energy: -0.359
local terms energy: -73.282454
where:
bonds (distance) C4'-P energy: -17.418
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -10.534
flat angles P-C4'-P energy: -8.067
tors. eta vs tors. theta energy: -20.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -234.805663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.805663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.805663 (E_RNA)
where:
Base-Base interactions energy: -152.721
where: short stacking energy: -75.526
Base-Backbone interact. energy: -0.008
local terms energy: -82.076333
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -18.119
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -12.616
tors. eta vs tors. theta energy: -21.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -227.130181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.130181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.130181 (E_RNA)
where:
Base-Base interactions energy: -152.983
where: short stacking energy: -77.443
Base-Backbone interact. energy: -0.280
local terms energy: -73.867744
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -12.465
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -11.819
tors. eta vs tors. theta energy: -21.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -218.188381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.188381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.188381 (E_RNA)
where:
Base-Base interactions energy: -143.913
where: short stacking energy: -64.651
Base-Backbone interact. energy: -0.283
local terms energy: -73.992752
where:
bonds (distance) C4'-P energy: -17.352
bonds (distance) P-C4' energy: -9.039
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -9.975
tors. eta vs tors. theta energy: -20.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -195.798736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.798736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.798736 (E_RNA)
where:
Base-Base interactions energy: -124.342
where: short stacking energy: -57.607
Base-Backbone interact. energy: -0.556
local terms energy: -70.901366
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -10.808
flat angles P-C4'-P energy: -15.160
tors. eta vs tors. theta energy: -17.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -195.238896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.238896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.238896 (E_RNA)
where:
Base-Base interactions energy: -130.658
where: short stacking energy: -65.224
Base-Backbone interact. energy: -0.147
local terms energy: -64.434243
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -7.989
flat angles C4'-P-C4' energy: -13.389
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: -18.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -147.695779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.695779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.695779 (E_RNA)
where:
Base-Base interactions energy: -85.388
where: short stacking energy: -43.614
Base-Backbone interact. energy: -0.103
local terms energy: -62.204452
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -11.497
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -13.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -98.737572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.737572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.737572 (E_RNA)
where:
Base-Base interactions energy: -44.531
where: short stacking energy: -32.513
Base-Backbone interact. energy: -0.106
local terms energy: -54.100554
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -9.428
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: -4.869
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: 9, replica: 4
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -75.821143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.821143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.821143 (E_RNA)
where:
Base-Base interactions energy: -24.644
where: short stacking energy: -24.644
Base-Backbone interact. energy: -0.145
local terms energy: -51.031329
where:
bonds (distance) C4'-P energy: -12.382
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -10.331
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: 1.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -80.870204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.870204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.870204 (E_RNA)
where:
Base-Base interactions energy: -29.451
where: short stacking energy: -26.453
Base-Backbone interact. energy: 1.227
local terms energy: -52.645875
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -4.696
tors. eta vs tors. theta energy: -7.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -232.075092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.075092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.075092 (E_RNA)
where:
Base-Base interactions energy: -154.011
where: short stacking energy: -72.614
Base-Backbone interact. energy: -0.689
local terms energy: -77.374667
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -12.805
flat angles C4'-P-C4' energy: -16.877
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -21.161
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: 2, replica: 6
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -227.295974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.295974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.295974 (E_RNA)
where:
Base-Base interactions energy: -149.552
where: short stacking energy: -69.549
Base-Backbone interact. energy: -0.295
local terms energy: -77.449605
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -14.633
flat angles C4'-P-C4' energy: -17.436
flat angles P-C4'-P energy: -14.091
tors. eta vs tors. theta energy: -19.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -217.698368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.698368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.698368 (E_RNA)
where:
Base-Base interactions energy: -146.678
where: short stacking energy: -69.230
Base-Backbone interact. energy: 0.426
local terms energy: -71.446430
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -11.209
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: 4, replica: 8
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -216.123538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.123538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.123538 (E_RNA)
where:
Base-Base interactions energy: -142.646
where: short stacking energy: -73.076
Base-Backbone interact. energy: -0.119
local terms energy: -73.359403
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -17.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -211.601299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.601299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.601299 (E_RNA)
where:
Base-Base interactions energy: -146.959
where: short stacking energy: -74.525
Base-Backbone interact. energy: -0.044
local terms energy: -64.598540
where:
bonds (distance) C4'-P energy: -9.788
bonds (distance) P-C4' energy: -8.269
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -12.622
tors. eta vs tors. theta energy: -19.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -202.720925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.720925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.720925 (E_RNA)
where:
Base-Base interactions energy: -136.449
where: short stacking energy: -62.205
Base-Backbone interact. energy: -0.041
local terms energy: -66.231003
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -10.836
flat angles C4'-P-C4' energy: -16.122
flat angles P-C4'-P energy: -12.598
tors. eta vs tors. theta energy: -13.756
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: 5
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -137.742515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.742515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.742515 (E_RNA)
where:
Base-Base interactions energy: -80.556
where: short stacking energy: -34.327
Base-Backbone interact. energy: -0.161
local terms energy: -57.026257
where:
bonds (distance) C4'-P energy: -14.419
bonds (distance) P-C4' energy: -12.382
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -8.861
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: 8, replica: 9
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -92.253307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.253307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.253307 (E_RNA)
where:
Base-Base interactions energy: -43.593
where: short stacking energy: -33.550
Base-Backbone interact. energy: 0.629
local terms energy: -49.288786
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -11.129
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -7.086
tors. eta vs tors. theta energy: -5.988
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: 9, replica: 4
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -84.064292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.064292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.064292 (E_RNA)
where:
Base-Base interactions energy: -36.973
where: short stacking energy: -28.932
Base-Backbone interact. energy: 0.177
local terms energy: -47.268827
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -11.871
flat angles C4'-P-C4' energy: -10.759
flat angles P-C4'-P energy: -5.011
tors. eta vs tors. theta energy: -5.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -82.923889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.923889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.923889 (E_RNA)
where:
Base-Base interactions energy: -27.794
where: short stacking energy: -23.156
Base-Backbone interact. energy: -0.003
local terms energy: -55.126580
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -9.793
flat angles P-C4'-P energy: -7.203
tors. eta vs tors. theta energy: -10.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -233.051819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.051819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.051819 (E_RNA)
where:
Base-Base interactions energy: -152.043
where: short stacking energy: -73.682
Base-Backbone interact. energy: -0.087
local terms energy: -80.921946
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -18.281
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -20.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -228.529926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.529926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.529926 (E_RNA)
where:
Base-Base interactions energy: -149.600
where: short stacking energy: -77.250
Base-Backbone interact. energy: -0.509
local terms energy: -78.420677
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -13.717
tors. eta vs tors. theta energy: -20.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -214.708143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.708143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.708143 (E_RNA)
where:
Base-Base interactions energy: -145.068
where: short stacking energy: -64.018
Base-Backbone interact. energy: -0.094
local terms energy: -69.546619
where:
bonds (distance) C4'-P energy: -12.034
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -15.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -215.475096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.475096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.475096 (E_RNA)
where:
Base-Base interactions energy: -138.866
where: short stacking energy: -60.693
Base-Backbone interact. energy: 0.274
local terms energy: -76.882541
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -17.190
flat angles P-C4'-P energy: -8.401
tors. eta vs tors. theta energy: -21.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -215.757251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.757251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.757251 (E_RNA)
where:
Base-Base interactions energy: -138.165
where: short stacking energy: -65.661
Base-Backbone interact. energy: -0.021
local terms energy: -77.571648
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -13.112
tors. eta vs tors. theta energy: -19.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -198.106650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.106650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.106650 (E_RNA)
where:
Base-Base interactions energy: -135.004
where: short stacking energy: -70.594
Base-Backbone interact. energy: -0.044
local terms energy: -63.058569
where:
bonds (distance) C4'-P energy: -4.937
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -17.539
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: 7, replica: 9
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -91.834622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.834622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.834622 (E_RNA)
where:
Base-Base interactions energy: -34.767
where: short stacking energy: -34.707
Base-Backbone interact. energy: -0.946
local terms energy: -56.122129
where:
bonds (distance) C4'-P energy: -10.274
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -9.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -158.262897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.262897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.262897 (E_RNA)
where:
Base-Base interactions energy: -105.411
where: short stacking energy: -41.018
Base-Backbone interact. energy: -0.041
local terms energy: -52.810581
where:
bonds (distance) C4'-P energy: -10.031
bonds (distance) P-C4' energy: -9.115
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -8.470
tors. eta vs tors. theta energy: -9.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -82.510068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.510068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.510068 (E_RNA)
where:
Base-Base interactions energy: -36.999
where: short stacking energy: -33.460
Base-Backbone interact. energy: -0.207
local terms energy: -45.303248
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -9.763
flat angles P-C4'-P energy: -4.908
tors. eta vs tors. theta energy: -3.237
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: 4
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -76.932490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.932490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.932490 (E_RNA)
where:
Base-Base interactions energy: -30.204
where: short stacking energy: -23.052
Base-Backbone interact. energy: -0.558
local terms energy: -46.170518
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -11.234
flat angles C4'-P-C4' energy: -12.319
flat angles P-C4'-P energy: -7.785
tors. eta vs tors. theta energy: -1.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -241.483111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.483111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.483111 (E_RNA)
where:
Base-Base interactions energy: -157.809
where: short stacking energy: -75.082
Base-Backbone interact. energy: -0.002
local terms energy: -83.672333
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -17.763
flat angles C4'-P-C4' energy: -16.691
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -22.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -233.366914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.366914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.366914 (E_RNA)
where:
Base-Base interactions energy: -157.843
where: short stacking energy: -70.469
Base-Backbone interact. energy: -0.436
local terms energy: -75.088646
where:
bonds (distance) C4'-P energy: -10.908
bonds (distance) P-C4' energy: -15.915
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -12.213
tors. eta vs tors. theta energy: -19.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -227.835178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.835178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.835178 (E_RNA)
where:
Base-Base interactions energy: -151.660
where: short stacking energy: -77.723
Base-Backbone interact. energy: -0.018
local terms energy: -76.157764
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -12.821
flat angles C4'-P-C4' energy: -17.352
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -19.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -218.640261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.640261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.640261 (E_RNA)
where:
Base-Base interactions energy: -142.815
where: short stacking energy: -72.712
Base-Backbone interact. energy: -0.645
local terms energy: -75.180797
where:
bonds (distance) C4'-P energy: -16.773
bonds (distance) P-C4' energy: -11.891
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: -19.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -221.481691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.481691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.481691 (E_RNA)
where:
Base-Base interactions energy: -148.229
where: short stacking energy: -72.805
Base-Backbone interact. energy: 0.035
local terms energy: -73.288148
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -9.832
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -11.559
tors. eta vs tors. theta energy: -20.600
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: 7
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -190.160097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.160097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.160097 (E_RNA)
where:
Base-Base interactions energy: -120.779
where: short stacking energy: -58.599
Base-Backbone interact. energy: -0.677
local terms energy: -68.704336
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -7.849
tors. eta vs tors. theta energy: -16.271
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: 9
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -96.296437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.296437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.296437 (E_RNA)
where:
Base-Base interactions energy: -42.610
where: short stacking energy: -38.223
Base-Backbone interact. energy: -0.166
local terms energy: -53.521108
where:
bonds (distance) C4'-P energy: -10.566
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -7.676
tors. eta vs tors. theta energy: -5.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -160.798444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.798444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.798444 (E_RNA)
where:
Base-Base interactions energy: -103.651
where: short stacking energy: -62.405
Base-Backbone interact. energy: -0.039
local terms energy: -57.108967
where:
bonds (distance) C4'-P energy: -7.589
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -11.976
flat angles P-C4'-P energy: -8.334
tors. eta vs tors. theta energy: -12.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -97.927689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.927689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.927689 (E_RNA)
where:
Base-Base interactions energy: -44.900
where: short stacking energy: -33.594
Base-Backbone interact. energy: -0.163
local terms energy: -52.865448
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -10.827
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -7.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -74.565167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.565167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.565167 (E_RNA)
where:
Base-Base interactions energy: -29.447
where: short stacking energy: -28.237
Base-Backbone interact. energy: -0.218
local terms energy: -44.900237
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -11.169
flat angles P-C4'-P energy: -2.615
tors. eta vs tors. theta energy: -1.643
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: 6
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -233.786318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.786318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.786318 (E_RNA)
where:
Base-Base interactions energy: -149.577
where: short stacking energy: -74.014
Base-Backbone interact. energy: -0.126
local terms energy: -84.083769
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -22.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -220.413052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.413052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.413052 (E_RNA)
where:
Base-Base interactions energy: -150.246
where: short stacking energy: -62.853
Base-Backbone interact. energy: -0.048
local terms energy: -70.118781
where:
bonds (distance) C4'-P energy: -13.007
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -17.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -220.303014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.303014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.303014 (E_RNA)
where:
Base-Base interactions energy: -148.520
where: short stacking energy: -74.445
Base-Backbone interact. energy: -0.488
local terms energy: -71.295593
where:
bonds (distance) C4'-P energy: -10.443
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -21.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -207.968871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.968871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.968871 (E_RNA)
where:
Base-Base interactions energy: -139.669
where: short stacking energy: -67.048
Base-Backbone interact. energy: 0.337
local terms energy: -68.637018
where:
bonds (distance) C4'-P energy: -7.590
bonds (distance) P-C4' energy: -12.487
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -13.970
tors. eta vs tors. theta energy: -20.031
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: 2
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -223.118547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.118547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.118547 (E_RNA)
where:
Base-Base interactions energy: -146.118
where: short stacking energy: -71.552
Base-Backbone interact. energy: -0.001
local terms energy: -76.998866
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -13.897
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -12.893
tors. eta vs tors. theta energy: -21.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -197.821924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.821924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.821924 (E_RNA)
where:
Base-Base interactions energy: -132.927
where: short stacking energy: -59.448
Base-Backbone interact. energy: -0.021
local terms energy: -64.873302
where:
bonds (distance) C4'-P energy: -9.545
bonds (distance) P-C4' energy: -13.805
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -16.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -173.680803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.680803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.680803 (E_RNA)
where:
Base-Base interactions energy: -113.770
where: short stacking energy: -50.750
Base-Backbone interact. energy: 2.202
local terms energy: -62.112774
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -14.795
flat angles C4'-P-C4' energy: -10.756
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -10.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -89.563994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.563994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.563994 (E_RNA)
where:
Base-Base interactions energy: -31.966
where: short stacking energy: -31.966
Base-Backbone interact. energy: -0.188
local terms energy: -57.409528
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -5.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -77.999113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.999113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.999113 (E_RNA)
where:
Base-Base interactions energy: -29.186
where: short stacking energy: -22.936
Base-Backbone interact. energy: -1.135
local terms energy: -47.678261
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -8.516
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: 2.788
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: 10, replica: 1
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -80.808566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.808566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.808566 (E_RNA)
where:
Base-Base interactions energy: -37.999
where: short stacking energy: -25.730
Base-Backbone interact. energy: 0.437
local terms energy: -43.246657
where:
bonds (distance) C4'-P energy: -11.337
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -4.664
tors. eta vs tors. theta energy: 1.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -235.712975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.712975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.712975 (E_RNA)
where:
Base-Base interactions energy: -161.170
where: short stacking energy: -78.030
Base-Backbone interact. energy: -0.290
local terms energy: -74.252531
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -8.785
tors. eta vs tors. theta energy: -20.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -232.329900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.329900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.329900 (E_RNA)
where:
Base-Base interactions energy: -157.420
where: short stacking energy: -76.727
Base-Backbone interact. energy: -0.001
local terms energy: -74.909242
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -5.627
tors. eta vs tors. theta energy: -21.587
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: 3
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -219.059930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.059930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.059930 (E_RNA)
where:
Base-Base interactions energy: -137.828
where: short stacking energy: -73.761
Base-Backbone interact. energy: -0.030
local terms energy: -81.202029
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -22.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -212.944333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.944333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.944333 (E_RNA)
where:
Base-Base interactions energy: -144.416
where: short stacking energy: -65.186
Base-Backbone interact. energy: -0.613
local terms energy: -67.915680
where:
bonds (distance) C4'-P energy: -10.133
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -16.490
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: 5, replica: 2
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -198.150348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.150348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.150348 (E_RNA)
where:
Base-Base interactions energy: -132.612
where: short stacking energy: -69.647
Base-Backbone interact. energy: -0.004
local terms energy: -65.534127
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -12.302
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -19.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -199.774177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.774177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.774177 (E_RNA)
where:
Base-Base interactions energy: -136.785
where: short stacking energy: -64.755
Base-Backbone interact. energy: -0.313
local terms energy: -62.676554
where:
bonds (distance) C4'-P energy: -7.335
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -12.730
tors. eta vs tors. theta energy: -13.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -150.425104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.425104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.425104 (E_RNA)
where:
Base-Base interactions energy: -98.327
where: short stacking energy: -34.315
Base-Backbone interact. energy: -0.538
local terms energy: -51.559531
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.633
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -2.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -83.082210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.082210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.082210 (E_RNA)
where:
Base-Base interactions energy: -30.213
where: short stacking energy: -27.336
Base-Backbone interact. energy: -0.162
local terms energy: -52.706772
where:
bonds (distance) C4'-P energy: -8.220
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -2.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -88.118174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.118174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.118174 (E_RNA)
where:
Base-Base interactions energy: -39.910
where: short stacking energy: -36.101
Base-Backbone interact. energy: -0.266
local terms energy: -47.942397
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -12.202
flat angles C4'-P-C4' energy: -8.429
flat angles P-C4'-P energy: -7.551
tors. eta vs tors. theta energy: -3.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -84.583425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.583425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.583425 (E_RNA)
where:
Base-Base interactions energy: -42.259
where: short stacking energy: -25.818
Base-Backbone interact. energy: -1.114
local terms energy: -41.210521
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -15.915
flat angles C4'-P-C4' energy: -9.051
flat angles P-C4'-P energy: 2.684
tors. eta vs tors. theta energy: -7.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -226.977329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.977329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.977329 (E_RNA)
where:
Base-Base interactions energy: -155.607
where: short stacking energy: -73.796
Base-Backbone interact. energy: -0.096
local terms energy: -71.273740
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -11.218
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -20.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -229.489984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.489984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.489984 (E_RNA)
where:
Base-Base interactions energy: -151.135
where: short stacking energy: -70.551
Base-Backbone interact. energy: -0.829
local terms energy: -77.526009
where:
bonds (distance) C4'-P energy: -13.326
bonds (distance) P-C4' energy: -13.076
flat angles C4'-P-C4' energy: -19.158
flat angles P-C4'-P energy: -10.955
tors. eta vs tors. theta energy: -21.012
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: 3, replica: 3
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -206.866842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.866842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.866842 (E_RNA)
where:
Base-Base interactions energy: -129.906
where: short stacking energy: -67.921
Base-Backbone interact. energy: -0.000
local terms energy: -76.960839
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -19.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -227.942344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.942344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.942344 (E_RNA)
where:
Base-Base interactions energy: -149.123
where: short stacking energy: -68.443
Base-Backbone interact. energy: -0.004
local terms energy: -78.815456
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -14.707
flat angles C4'-P-C4' energy: -17.091
flat angles P-C4'-P energy: -13.342
tors. eta vs tors. theta energy: -20.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -201.161562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.161562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.161562 (E_RNA)
where:
Base-Base interactions energy: -140.114
where: short stacking energy: -59.157
Base-Backbone interact. energy: -0.058
local terms energy: -60.989466
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: -11.867
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -11.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -199.867242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.867242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.867242 (E_RNA)
where:
Base-Base interactions energy: -130.422
where: short stacking energy: -55.216
Base-Backbone interact. energy: -0.035
local terms energy: -69.409418
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -12.984
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -16.475
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: 5
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -141.175417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.175417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.175417 (E_RNA)
where:
Base-Base interactions energy: -88.024
where: short stacking energy: -46.511
Base-Backbone interact. energy: 0.073
local terms energy: -53.223950
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -10.207
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -5.966
tors. eta vs tors. theta energy: -10.035
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: 4
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -106.098692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.098692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.098692 (E_RNA)
where:
Base-Base interactions energy: -52.407
where: short stacking energy: -32.833
Base-Backbone interact. energy: -0.190
local terms energy: -53.501482
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -11.835
flat angles P-C4'-P energy: -6.233
tors. eta vs tors. theta energy: -3.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -81.784763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.784763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.784763 (E_RNA)
where:
Base-Base interactions energy: -30.838
where: short stacking energy: -23.004
Base-Backbone interact. energy: -0.604
local terms energy: -50.342956
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -14.280
flat angles C4'-P-C4' energy: -10.013
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: 1.116
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: 9
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -76.871886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.871886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.871886 (E_RNA)
where:
Base-Base interactions energy: -33.859
where: short stacking energy: -33.859
Base-Backbone interact. energy: -0.328
local terms energy: -42.684774
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -9.992
flat angles C4'-P-C4' energy: -3.783
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -4.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -230.153151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.153151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.153151 (E_RNA)
where:
Base-Base interactions energy: -153.805
where: short stacking energy: -70.897
Base-Backbone interact. energy: -0.580
local terms energy: -75.767650
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -17.289
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -20.939
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: 2, replica: 6
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -221.889028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.889028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.889028 (E_RNA)
where:
Base-Base interactions energy: -146.255
where: short stacking energy: -74.360
Base-Backbone interact. energy: -0.013
local terms energy: -75.620742
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -12.372
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -21.244
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: 3
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -209.939137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.939137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.939137 (E_RNA)
where:
Base-Base interactions energy: -136.580
where: short stacking energy: -61.434
Base-Backbone interact. energy: -0.055
local terms energy: -73.304977
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -16.204
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: 10
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -215.303466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.303466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.303466 (E_RNA)
where:
Base-Base interactions energy: -142.953
where: short stacking energy: -68.726
Base-Backbone interact. energy: -0.006
local terms energy: -72.344541
where:
bonds (distance) C4'-P energy: -10.990
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -22.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -211.952857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.952857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.952857 (E_RNA)
where:
Base-Base interactions energy: -143.838
where: short stacking energy: -68.853
Base-Backbone interact. energy: -0.040
local terms energy: -68.075013
where:
bonds (distance) C4'-P energy: -10.539
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -16.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -195.819040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.819040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.819040 (E_RNA)
where:
Base-Base interactions energy: -124.948
where: short stacking energy: -55.633
Base-Backbone interact. energy: -0.236
local terms energy: -70.635626
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: -15.248
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: 7, replica: 5
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -135.904504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.904504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.904504 (E_RNA)
where:
Base-Base interactions energy: -80.173
where: short stacking energy: -44.584
Base-Backbone interact. energy: 2.893
local terms energy: -58.624702
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -11.215
flat angles C4'-P-C4' energy: -12.257
flat angles P-C4'-P energy: -11.846
tors. eta vs tors. theta energy: -10.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -117.291819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.291819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.291819 (E_RNA)
where:
Base-Base interactions energy: -67.256
where: short stacking energy: -34.218
Base-Backbone interact. energy: -1.050
local terms energy: -48.986172
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -9.995
flat angles P-C4'-P energy: -4.385
tors. eta vs tors. theta energy: -6.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -80.379462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.379462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.379462 (E_RNA)
where:
Base-Base interactions energy: -33.023
where: short stacking energy: -33.023
Base-Backbone interact. energy: -0.424
local terms energy: -46.932520
where:
bonds (distance) C4'-P energy: -12.955
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -10.956
flat angles P-C4'-P energy: -4.573
tors. eta vs tors. theta energy: -2.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -76.506220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.506220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.506220 (E_RNA)
where:
Base-Base interactions energy: -26.195
where: short stacking energy: -26.783
Base-Backbone interact. energy: -0.085
local terms energy: -50.226611
where:
bonds (distance) C4'-P energy: -12.684
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -11.850
flat angles P-C4'-P energy: -6.453
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: 400
Temperature: 0.900000
Total energy: -227.093415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.093415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.093415 (E_RNA)
where:
Base-Base interactions energy: -152.373
where: short stacking energy: -73.242
Base-Backbone interact. energy: -0.013
local terms energy: -74.706996
where:
bonds (distance) C4'-P energy: -12.562
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -14.503
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -21.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -231.338636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.338636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.338636 (E_RNA)
where:
Base-Base interactions energy: -153.293
where: short stacking energy: -78.820
Base-Backbone interact. energy: -0.157
local terms energy: -77.888294
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -13.534
tors. eta vs tors. theta energy: -21.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -222.824178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.824178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.824178 (E_RNA)
where:
Base-Base interactions energy: -141.498
where: short stacking energy: -65.965
Base-Backbone interact. energy: -0.009
local terms energy: -81.316355
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -14.016
tors. eta vs tors. theta energy: -23.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -222.852643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.852643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.852643 (E_RNA)
where:
Base-Base interactions energy: -150.282
where: short stacking energy: -74.098
Base-Backbone interact. energy: -0.260
local terms energy: -72.310549
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -11.735
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -12.854
tors. eta vs tors. theta energy: -19.162
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: 2
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -209.182424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.182424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.182424 (E_RNA)
where:
Base-Base interactions energy: -140.949
where: short stacking energy: -65.581
Base-Backbone interact. energy: -0.028
local terms energy: -68.205344
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -12.332
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -17.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -200.958914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.958914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.958914 (E_RNA)
where:
Base-Base interactions energy: -134.174
where: short stacking energy: -65.415
Base-Backbone interact. energy: -0.009
local terms energy: -66.776402
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -10.130
flat angles P-C4'-P energy: -7.525
tors. eta vs tors. theta energy: -18.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -147.960113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.960113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.960113 (E_RNA)
where:
Base-Base interactions energy: -87.790
where: short stacking energy: -50.107
Base-Backbone interact. energy: 0.014
local terms energy: -60.184427
where:
bonds (distance) C4'-P energy: -9.021
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -5.150
tors. eta vs tors. theta energy: -15.205
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: 1
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -89.890956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.890956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.890956 (E_RNA)
where:
Base-Base interactions energy: -35.040
where: short stacking energy: -30.645
Base-Backbone interact. energy: -0.104
local terms energy: -54.746532
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -10.829
flat angles P-C4'-P energy: -9.845
tors. eta vs tors. theta energy: -3.831
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: 400
Temperature: 1.300000
Total energy: -87.305553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.305553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.305553 (E_RNA)
where:
Base-Base interactions energy: -35.810
where: short stacking energy: -19.018
Base-Backbone interact. energy: -0.690
local terms energy: -50.805544
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -15.901
flat angles C4'-P-C4' energy: -12.995
flat angles P-C4'-P energy: -2.969
tors. eta vs tors. theta energy: -5.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -83.556067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.556067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.556067 (E_RNA)
where:
Base-Base interactions energy: -27.665
where: short stacking energy: -27.665
Base-Backbone interact. energy: -0.186
local terms energy: -55.704991
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -17.625
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -1.074
tors. eta vs tors. theta energy: -8.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -229.801564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.801564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.801564 (E_RNA)
where:
Base-Base interactions energy: -148.653
where: short stacking energy: -77.132
Base-Backbone interact. energy: -0.043
local terms energy: -81.105373
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -13.670
tors. eta vs tors. theta energy: -20.695
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: 10
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -228.148496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.148496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.148496 (E_RNA)
where:
Base-Base interactions energy: -152.113
where: short stacking energy: -72.083
Base-Backbone interact. energy: -0.216
local terms energy: -75.819445
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -21.404
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: 6
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -218.040271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.040271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.040271 (E_RNA)
where:
Base-Base interactions energy: -151.649
where: short stacking energy: -77.590
Base-Backbone interact. energy: -0.021
local terms energy: -66.370802
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -11.812
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -16.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -231.879538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.879538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.879538 (E_RNA)
where:
Base-Base interactions energy: -154.673
where: short stacking energy: -79.408
Base-Backbone interact. energy: -0.001
local terms energy: -77.205540
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -22.129
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: 3
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -210.107329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.107329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.107329 (E_RNA)
where:
Base-Base interactions energy: -132.552
where: short stacking energy: -66.239
Base-Backbone interact. energy: -0.022
local terms energy: -77.533613
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -16.301
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -21.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -207.966010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.966010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.966010 (E_RNA)
where:
Base-Base interactions energy: -137.013
where: short stacking energy: -67.988
Base-Backbone interact. energy: -0.001
local terms energy: -70.952301
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -12.596
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -12.346
tors. eta vs tors. theta energy: -20.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -163.666590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.666590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.666590 (E_RNA)
where:
Base-Base interactions energy: -107.525
where: short stacking energy: -50.823
Base-Backbone interact. energy: 0.128
local terms energy: -56.268679
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -7.819
tors. eta vs tors. theta energy: -9.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -82.040963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.040963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.040963 (E_RNA)
where:
Base-Base interactions energy: -30.384
where: short stacking energy: -30.384
Base-Backbone interact. energy: 0.269
local terms energy: -51.925853
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -7.553
tors. eta vs tors. theta energy: -2.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -90.303442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.303442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.303442 (E_RNA)
where:
Base-Base interactions energy: -47.251
where: short stacking energy: -32.336
Base-Backbone interact. energy: -0.054
local terms energy: -42.997618
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -8.621
flat angles P-C4'-P energy: -1.823
tors. eta vs tors. theta energy: -4.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -79.613476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.613476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.613476 (E_RNA)
where:
Base-Base interactions energy: -26.483
where: short stacking energy: -26.483
Base-Backbone interact. energy: -0.252
local terms energy: -52.878180
where:
bonds (distance) C4'-P energy: -11.255
bonds (distance) P-C4' energy: -14.295
flat angles C4'-P-C4' energy: -10.454
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -7.680
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: 8
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -233.140065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.140065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.140065 (E_RNA)
where:
Base-Base interactions energy: -150.768
where: short stacking energy: -70.773
Base-Backbone interact. energy: -0.289
local terms energy: -82.082397
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -18.023
flat angles P-C4'-P energy: -12.158
tors. eta vs tors. theta energy: -20.418
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: 2, replica: 10
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -230.522515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.522515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.522515 (E_RNA)
where:
Base-Base interactions energy: -151.300
where: short stacking energy: -69.575
Base-Backbone interact. energy: -0.023
local terms energy: -79.199576
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -7.703
tors. eta vs tors. theta energy: -22.617
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: 2
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -225.208004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.208004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.208004 (E_RNA)
where:
Base-Base interactions energy: -148.406
where: short stacking energy: -68.236
Base-Backbone interact. energy: -0.105
local terms energy: -76.697662
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -21.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -226.268837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.268837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.268837 (E_RNA)
where:
Base-Base interactions energy: -154.558
where: short stacking energy: -79.739
Base-Backbone interact. energy: -0.043
local terms energy: -71.668685
where:
bonds (distance) C4'-P energy: -9.388
bonds (distance) P-C4' energy: -12.498
flat angles C4'-P-C4' energy: -18.064
flat angles P-C4'-P energy: -9.139
tors. eta vs tors. theta energy: -22.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -219.707516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.707516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.707516 (E_RNA)
where:
Base-Base interactions energy: -144.727
where: short stacking energy: -70.332
Base-Backbone interact. energy: -0.930
local terms energy: -74.051410
where:
bonds (distance) C4'-P energy: -6.805
bonds (distance) P-C4' energy: -16.677
flat angles C4'-P-C4' energy: -16.998
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: -22.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -201.805603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.805603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.805603 (E_RNA)
where:
Base-Base interactions energy: -132.234
where: short stacking energy: -64.266
Base-Backbone interact. energy: -0.007
local terms energy: -69.564212
where:
bonds (distance) C4'-P energy: -9.230
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -18.482
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: 5
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -154.520429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.520429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.520429 (E_RNA)
where:
Base-Base interactions energy: -93.371
where: short stacking energy: -40.964
Base-Backbone interact. energy: -0.110
local terms energy: -61.038871
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -11.331
flat angles C4'-P-C4' energy: -11.194
flat angles P-C4'-P energy: -13.404
tors. eta vs tors. theta energy: -9.942
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: 9
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -91.737061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.737061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.737061 (E_RNA)
where:
Base-Base interactions energy: -42.888
where: short stacking energy: -33.196
Base-Backbone interact. energy: -0.137
local terms energy: -48.711249
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -11.244
flat angles C4'-P-C4' energy: -13.045
flat angles P-C4'-P energy: -8.038
tors. eta vs tors. theta energy: -4.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -83.620282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.620282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.620282 (E_RNA)
where:
Base-Base interactions energy: -23.109
where: short stacking energy: -23.109
Base-Backbone interact. energy: -0.089
local terms energy: -60.422586
where:
bonds (distance) C4'-P energy: -15.688
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -12.288
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -5.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -83.139483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.139483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.139483 (E_RNA)
where:
Base-Base interactions energy: -27.062
where: short stacking energy: -24.596
Base-Backbone interact. energy: -0.140
local terms energy: -55.937749
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -18.025
flat angles C4'-P-C4' energy: -10.214
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -7.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -228.760558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.760558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.760558 (E_RNA)
where:
Base-Base interactions energy: -152.639
where: short stacking energy: -65.633
Base-Backbone interact. energy: -0.004
local terms energy: -76.117464
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -16.349
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: 2, replica: 2
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -221.877905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.877905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.877905 (E_RNA)
where:
Base-Base interactions energy: -143.907
where: short stacking energy: -66.557
Base-Backbone interact. energy: -0.495
local terms energy: -77.476327
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -13.555
flat angles C4'-P-C4' energy: -18.418
flat angles P-C4'-P energy: -12.478
tors. eta vs tors. theta energy: -17.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -219.567520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.567520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.567520 (E_RNA)
where:
Base-Base interactions energy: -141.787
where: short stacking energy: -66.491
Base-Backbone interact. energy: -0.011
local terms energy: -77.769844
where:
bonds (distance) C4'-P energy: -11.368
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -17.065
flat angles P-C4'-P energy: -12.745
tors. eta vs tors. theta energy: -19.579
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: 403
Temperature: 1.050000
Total energy: -209.373111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.373111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.373111 (E_RNA)
where:
Base-Base interactions energy: -138.344
where: short stacking energy: -67.868
Base-Backbone interact. energy: -0.916
local terms energy: -70.112814
where:
bonds (distance) C4'-P energy: -13.857
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -10.609
flat angles P-C4'-P energy: -9.277
tors. eta vs tors. theta energy: -19.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -201.602643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.602643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.602643 (E_RNA)
where:
Base-Base interactions energy: -126.234
where: short stacking energy: -61.469
Base-Backbone interact. energy: -0.008
local terms energy: -75.360579
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -15.618
flat angles C4'-P-C4' energy: -17.782
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -18.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -158.668403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.668403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.668403 (E_RNA)
where:
Base-Base interactions energy: -84.017
where: short stacking energy: -44.273
Base-Backbone interact. energy: -0.142
local terms energy: -74.509602
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -13.599
tors. eta vs tors. theta energy: -11.268
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: 7, replica: 3
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -195.034750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.034750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.034750 (E_RNA)
where:
Base-Base interactions energy: -125.402
where: short stacking energy: -55.318
Base-Backbone interact. energy: -1.112
local terms energy: -68.520799
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -13.153
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -17.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -90.089711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.089711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.089711 (E_RNA)
where:
Base-Base interactions energy: -36.605
where: short stacking energy: -36.605
Base-Backbone interact. energy: -0.127
local terms energy: -53.357416
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -1.700
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: 9
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -79.872802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.872802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.872802 (E_RNA)
where:
Base-Base interactions energy: -32.845
where: short stacking energy: -24.448
Base-Backbone interact. energy: 1.452
local terms energy: -48.480314
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -6.627
flat angles C4'-P-C4' energy: -13.151
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -5.370
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: 10, replica: 1
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -74.877922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.877922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.877922 (E_RNA)
where:
Base-Base interactions energy: -28.989
where: short stacking energy: -25.847
Base-Backbone interact. energy: -0.294
local terms energy: -45.594557
where:
bonds (distance) C4'-P energy: -9.968
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -5.149
tors. eta vs tors. theta energy: -0.229
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: 1, replica: 2
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -231.337650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.337650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.337650 (E_RNA)
where:
Base-Base interactions energy: -151.824
where: short stacking energy: -79.162
Base-Backbone interact. energy: -0.091
local terms energy: -79.422695
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: -21.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -228.271166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.271166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.271166 (E_RNA)
where:
Base-Base interactions energy: -148.656
where: short stacking energy: -73.309
Base-Backbone interact. energy: 0.268
local terms energy: -79.883668
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -16.177
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -20.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -217.991633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.991633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.991633 (E_RNA)
where:
Base-Base interactions energy: -144.825
where: short stacking energy: -71.286
Base-Backbone interact. energy: -0.019
local terms energy: -73.147244
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -13.157
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -20.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -212.222192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.222192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.222192 (E_RNA)
where:
Base-Base interactions energy: -138.535
where: short stacking energy: -74.190
Base-Backbone interact. energy: -0.029
local terms energy: -73.658280
where:
bonds (distance) C4'-P energy: -10.886
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -11.054
tors. eta vs tors. theta energy: -20.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -160.286331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.286331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.286331 (E_RNA)
where:
Base-Base interactions energy: -99.908
where: short stacking energy: -49.680
Base-Backbone interact. energy: -0.154
local terms energy: -60.224965
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -12.027
flat angles P-C4'-P energy: -11.102
tors. eta vs tors. theta energy: -8.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -195.097609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.097609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.097609 (E_RNA)
where:
Base-Base interactions energy: -123.321
where: short stacking energy: -54.219
Base-Backbone interact. energy: -0.514
local terms energy: -71.262441
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -13.541
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -15.251
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: 7, replica: 3
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -196.489934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.489934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.489934 (E_RNA)
where:
Base-Base interactions energy: -129.884
where: short stacking energy: -67.109
Base-Backbone interact. energy: -0.059
local terms energy: -66.547367
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -9.611
flat angles P-C4'-P energy: -8.063
tors. eta vs tors. theta energy: -17.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -78.646197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.646197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.646197 (E_RNA)
where:
Base-Base interactions energy: -33.591
where: short stacking energy: -17.591
Base-Backbone interact. energy: -0.533
local terms energy: -44.522389
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -13.812
flat angles C4'-P-C4' energy: -9.477
flat angles P-C4'-P energy: -7.069
tors. eta vs tors. theta energy: -1.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -91.663415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.663415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.663415 (E_RNA)
where:
Base-Base interactions energy: -42.835
where: short stacking energy: -35.749
Base-Backbone interact. energy: 1.576
local terms energy: -50.404072
where:
bonds (distance) C4'-P energy: -13.294
bonds (distance) P-C4' energy: -13.383
flat angles C4'-P-C4' energy: -16.562
flat angles P-C4'-P energy: -6.199
tors. eta vs tors. theta energy: -0.966
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: 10, replica: 1
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -86.771998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.771998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.771998 (E_RNA)
where:
Base-Base interactions energy: -33.909
where: short stacking energy: -30.336
Base-Backbone interact. energy: -0.026
local terms energy: -52.836867
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -11.580
flat angles C4'-P-C4' energy: -16.388
flat angles P-C4'-P energy: -8.256
tors. eta vs tors. theta energy: -3.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -234.898092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.898092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.898092 (E_RNA)
where:
Base-Base interactions energy: -152.837
where: short stacking energy: -78.642
Base-Backbone interact. energy: -0.321
local terms energy: -81.740152
where:
bonds (distance) C4'-P energy: -13.868
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -17.119
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -23.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -227.316869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.316869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.316869 (E_RNA)
where:
Base-Base interactions energy: -156.131
where: short stacking energy: -78.658
Base-Backbone interact. energy: -0.036
local terms energy: -71.150031
where:
bonds (distance) C4'-P energy: -10.608
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -18.779
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: 3, replica: 8
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -221.663155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.663155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.663155 (E_RNA)
where:
Base-Base interactions energy: -145.499
where: short stacking energy: -67.188
Base-Backbone interact. energy: -0.168
local terms energy: -75.995672
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -17.125
flat angles P-C4'-P energy: -13.052
tors. eta vs tors. theta energy: -17.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -223.976490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.976490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.976490 (E_RNA)
where:
Base-Base interactions energy: -148.692
where: short stacking energy: -69.755
Base-Backbone interact. energy: -0.003
local terms energy: -75.282289
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -6.334
tors. eta vs tors. theta energy: -22.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -163.566403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.566403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.566403 (E_RNA)
where:
Base-Base interactions energy: -95.264
where: short stacking energy: -47.274
Base-Backbone interact. energy: -0.094
local terms energy: -68.208050
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -19.131
flat angles C4'-P-C4' energy: -11.956
flat angles P-C4'-P energy: -13.015
tors. eta vs tors. theta energy: -9.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -215.451342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.451342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.451342 (E_RNA)
where:
Base-Base interactions energy: -130.773
where: short stacking energy: -64.911
Base-Backbone interact. energy: -0.580
local terms energy: -84.098226
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -17.827
flat angles P-C4'-P energy: -13.733
tors. eta vs tors. theta energy: -19.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -180.287233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.287233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.287233 (E_RNA)
where:
Base-Base interactions energy: -121.049
where: short stacking energy: -46.701
Base-Backbone interact. energy: -0.532
local terms energy: -58.705745
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -8.523
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -10.794
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: 8, replica: 4
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -96.429077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.429077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.429077 (E_RNA)
where:
Base-Base interactions energy: -43.324
where: short stacking energy: -39.076
Base-Backbone interact. energy: 0.165
local terms energy: -53.270591
where:
bonds (distance) C4'-P energy: -7.909
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -10.939
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -7.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -90.208865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.208865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.208865 (E_RNA)
where:
Base-Base interactions energy: -43.648
where: short stacking energy: -39.584
Base-Backbone interact. energy: 0.469
local terms energy: -47.029910
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -4.041
flat angles C4'-P-C4' energy: -12.498
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -5.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -80.806414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.806414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.806414 (E_RNA)
where:
Base-Base interactions energy: -27.966
where: short stacking energy: -25.645
Base-Backbone interact. energy: -0.023
local terms energy: -52.817233
where:
bonds (distance) C4'-P energy: -9.757
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -2.654
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: 2
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -234.669958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.669958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.669958 (E_RNA)
where:
Base-Base interactions energy: -150.162
where: short stacking energy: -77.846
Base-Backbone interact. energy: -1.026
local terms energy: -83.482072
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -13.608
tors. eta vs tors. theta energy: -20.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -234.913519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.913519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.913519 (E_RNA)
where:
Base-Base interactions energy: -153.593
where: short stacking energy: -70.138
Base-Backbone interact. energy: -0.001
local terms energy: -81.319053
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -17.364
flat angles P-C4'-P energy: -10.778
tors. eta vs tors. theta energy: -21.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -218.993280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.993280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.993280 (E_RNA)
where:
Base-Base interactions energy: -139.494
where: short stacking energy: -62.763
Base-Backbone interact. energy: -0.020
local terms energy: -79.479246
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -11.717
tors. eta vs tors. theta energy: -20.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -215.938939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.938939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.938939 (E_RNA)
where:
Base-Base interactions energy: -150.226
where: short stacking energy: -67.947
Base-Backbone interact. energy: -0.740
local terms energy: -64.972737
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -10.063
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -8.499
tors. eta vs tors. theta energy: -17.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -196.698472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.698472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.698472 (E_RNA)
where:
Base-Base interactions energy: -128.407
where: short stacking energy: -60.975
Base-Backbone interact. energy: -0.177
local terms energy: -68.114966
where:
bonds (distance) C4'-P energy: -11.842
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -16.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -158.752790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.752790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.752790 (E_RNA)
where:
Base-Base interactions energy: -94.058
where: short stacking energy: -47.557
Base-Backbone interact. energy: -0.067
local terms energy: -64.628197
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -7.108
tors. eta vs tors. theta energy: -10.330
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: 7, replica: 6
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -189.065177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.065177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.065177 (E_RNA)
where:
Base-Base interactions energy: -123.746
where: short stacking energy: -59.203
Base-Backbone interact. energy: -0.673
local terms energy: -64.646382
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -12.165
flat angles C4'-P-C4' energy: -10.313
flat angles P-C4'-P energy: -7.475
tors. eta vs tors. theta energy: -17.970
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: 4
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -86.412046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.412046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.412046 (E_RNA)
where:
Base-Base interactions energy: -31.957
where: short stacking energy: -31.957
Base-Backbone interact. energy: -0.240
local terms energy: -54.214975
where:
bonds (distance) C4'-P energy: -8.931
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -12.711
tors. eta vs tors. theta energy: -5.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -87.827001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.827001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.827001 (E_RNA)
where:
Base-Base interactions energy: -38.990
where: short stacking energy: -28.195
Base-Backbone interact. energy: 0.069
local terms energy: -48.906323
where:
bonds (distance) C4'-P energy: -11.572
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -12.985
flat angles P-C4'-P energy: -7.558
tors. eta vs tors. theta energy: -1.677
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: 406
Temperature: 1.350000
Total energy: -73.899006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.899006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.899006 (E_RNA)
where:
Base-Base interactions energy: -25.235
where: short stacking energy: -11.753
Base-Backbone interact. energy: -0.270
local terms energy: -48.393849
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -15.482
flat angles P-C4'-P energy: -5.019
tors. eta vs tors. theta energy: 2.158
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: 1, replica: 2
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -233.517120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.517120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.517120 (E_RNA)
where:
Base-Base interactions energy: -150.781
where: short stacking energy: -70.575
Base-Backbone interact. energy: -0.077
local terms energy: -82.659132
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -18.606
flat angles P-C4'-P energy: -14.947
tors. eta vs tors. theta energy: -18.556
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: 10
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -223.855273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.855273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.855273 (E_RNA)
where:
Base-Base interactions energy: -139.747
where: short stacking energy: -67.141
Base-Backbone interact. energy: 0.144
local terms energy: -84.252879
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -18.679
flat angles P-C4'-P energy: -13.081
tors. eta vs tors. theta energy: -23.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -215.912076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.912076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.912076 (E_RNA)
where:
Base-Base interactions energy: -140.683
where: short stacking energy: -70.517
Base-Backbone interact. energy: -1.302
local terms energy: -73.926873
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -19.493
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: 3
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -215.053443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.053443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.053443 (E_RNA)
where:
Base-Base interactions energy: -134.817
where: short stacking energy: -61.371
Base-Backbone interact. energy: 0.023
local terms energy: -80.259889
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -16.813
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -18.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -206.198302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.198302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.198302 (E_RNA)
where:
Base-Base interactions energy: -135.224
where: short stacking energy: -72.277
Base-Backbone interact. energy: -0.001
local terms energy: -70.972996
where:
bonds (distance) C4'-P energy: -6.626
bonds (distance) P-C4' energy: -13.770
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -14.128
tors. eta vs tors. theta energy: -22.185
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: 6, replica: 6
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -206.050052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.050052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.050052 (E_RNA)
where:
Base-Base interactions energy: -137.955
where: short stacking energy: -72.051
Base-Backbone interact. energy: 0.235
local terms energy: -68.330162
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -13.869
flat angles C4'-P-C4' energy: -15.511
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -15.918
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: 5
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -180.351876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.351876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.351876 (E_RNA)
where:
Base-Base interactions energy: -116.817
where: short stacking energy: -52.073
Base-Backbone interact. energy: -0.131
local terms energy: -63.403269
where:
bonds (distance) C4'-P energy: -11.934
bonds (distance) P-C4' energy: -14.213
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: -15.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -84.016583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.016583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.016583 (E_RNA)
where:
Base-Base interactions energy: -27.222
where: short stacking energy: -24.776
Base-Backbone interact. energy: 0.370
local terms energy: -57.164560
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -13.022
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -4.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -79.779249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.779249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.779249 (E_RNA)
where:
Base-Base interactions energy: -25.793
where: short stacking energy: -17.176
Base-Backbone interact. energy: -0.386
local terms energy: -53.599899
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -8.009
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: 10, replica: 9
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -84.372210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.372210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.372210 (E_RNA)
where:
Base-Base interactions energy: -33.440
where: short stacking energy: -29.178
Base-Backbone interact. energy: 0.046
local terms energy: -50.978168
where:
bonds (distance) C4'-P energy: -10.092
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -11.231
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -0.100
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: 2
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -233.945879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.945879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.945879 (E_RNA)
where:
Base-Base interactions energy: -153.017
where: short stacking energy: -73.574
Base-Backbone interact. energy: -0.575
local terms energy: -80.354436
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -22.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -225.830014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.830014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.830014 (E_RNA)
where:
Base-Base interactions energy: -145.981
where: short stacking energy: -78.165
Base-Backbone interact. energy: -0.027
local terms energy: -79.822064
where:
bonds (distance) C4'-P energy: -16.888
bonds (distance) P-C4' energy: -14.813
flat angles C4'-P-C4' energy: -13.316
flat angles P-C4'-P energy: -12.800
tors. eta vs tors. theta energy: -22.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -230.398262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.398262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.398262 (E_RNA)
where:
Base-Base interactions energy: -151.376
where: short stacking energy: -73.692
Base-Backbone interact. energy: -0.482
local terms energy: -78.540335
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -13.291
tors. eta vs tors. theta energy: -20.780
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: 8
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -216.363409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.363409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.363409 (E_RNA)
where:
Base-Base interactions energy: -138.085
where: short stacking energy: -69.790
Base-Backbone interact. energy: -0.428
local terms energy: -77.850518
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -14.517
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -12.071
tors. eta vs tors. theta energy: -19.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -204.786258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.786258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.786258 (E_RNA)
where:
Base-Base interactions energy: -131.709
where: short stacking energy: -66.434
Base-Backbone interact. energy: 0.650
local terms energy: -73.726848
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -19.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -194.447157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.447157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.447157 (E_RNA)
where:
Base-Base interactions energy: -125.293
where: short stacking energy: -67.690
Base-Backbone interact. energy: -0.013
local terms energy: -69.141917
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -18.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -154.057221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.057221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.057221 (E_RNA)
where:
Base-Base interactions energy: -98.961
where: short stacking energy: -44.750
Base-Backbone interact. energy: -0.147
local terms energy: -54.948489
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -8.204
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -4.880
tors. eta vs tors. theta energy: -12.022
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: 8, replica: 1
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -86.339715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.339715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.339715 (E_RNA)
where:
Base-Base interactions energy: -34.182
where: short stacking energy: -28.662
Base-Backbone interact. energy: -0.102
local terms energy: -52.056318
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -18.144
flat angles C4'-P-C4' energy: -11.905
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: -3.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -79.072633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.072633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.072633 (E_RNA)
where:
Base-Base interactions energy: -34.002
where: short stacking energy: -26.300
Base-Backbone interact. energy: -1.302
local terms energy: -43.768486
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -12.452
flat angles C4'-P-C4' energy: -11.633
flat angles P-C4'-P energy: -5.550
tors. eta vs tors. theta energy: -1.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -80.710622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.710622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.710622 (E_RNA)
where:
Base-Base interactions energy: -37.283
where: short stacking energy: -35.587
Base-Backbone interact. energy: -0.179
local terms energy: -43.248584
where:
bonds (distance) C4'-P energy: -11.231
bonds (distance) P-C4' energy: -10.334
flat angles C4'-P-C4' energy: -12.217
flat angles P-C4'-P energy: -2.425
tors. eta vs tors. theta energy: -7.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -230.386249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.386249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.386249 (E_RNA)
where:
Base-Base interactions energy: -149.960
where: short stacking energy: -74.377
Base-Backbone interact. energy: -0.000
local terms energy: -80.425826
where:
bonds (distance) C4'-P energy: -17.655
bonds (distance) P-C4' energy: -14.878
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -20.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -230.741961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.741961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.741961 (E_RNA)
where:
Base-Base interactions energy: -149.649
where: short stacking energy: -71.828
Base-Backbone interact. energy: -0.001
local terms energy: -81.092402
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -21.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -218.929597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.929597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.929597 (E_RNA)
where:
Base-Base interactions energy: -147.652
where: short stacking energy: -72.022
Base-Backbone interact. energy: -0.014
local terms energy: -71.263109
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -6.581
tors. eta vs tors. theta energy: -20.634
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: 4, replica: 6
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -208.351057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.351057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.351057 (E_RNA)
where:
Base-Base interactions energy: -140.550
where: short stacking energy: -68.044
Base-Backbone interact. energy: -0.138
local terms energy: -67.663032
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -10.914
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -19.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -219.578907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.578907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.578907 (E_RNA)
where:
Base-Base interactions energy: -138.870
where: short stacking energy: -70.265
Base-Backbone interact. energy: -0.811
local terms energy: -79.897471
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -11.874
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: 6, replica: 7
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -182.903006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.903006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.903006 (E_RNA)
where:
Base-Base interactions energy: -118.700
where: short stacking energy: -61.672
Base-Backbone interact. energy: -0.101
local terms energy: -64.101827
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -11.085
flat angles P-C4'-P energy: -4.236
tors. eta vs tors. theta energy: -19.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -138.139714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.139714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.139714 (E_RNA)
where:
Base-Base interactions energy: -81.614
where: short stacking energy: -37.210
Base-Backbone interact. energy: -1.395
local terms energy: -55.130640
where:
bonds (distance) C4'-P energy: -15.798
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -12.442
flat angles P-C4'-P energy: -4.334
tors. eta vs tors. theta energy: -8.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -87.096903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.096903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.096903 (E_RNA)
where:
Base-Base interactions energy: -37.561
where: short stacking energy: -37.106
Base-Backbone interact. energy: 0.118
local terms energy: -49.653997
where:
bonds (distance) C4'-P energy: -10.629
bonds (distance) P-C4' energy: -15.392
flat angles C4'-P-C4' energy: -12.302
flat angles P-C4'-P energy: -6.680
tors. eta vs tors. theta energy: -4.651
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: 409
Temperature: 1.300000
Total energy: -81.976363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.976363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.976363 (E_RNA)
where:
Base-Base interactions energy: -31.416
where: short stacking energy: -29.416
Base-Backbone interact. energy: -0.371
local terms energy: -50.188412
where:
bonds (distance) C4'-P energy: -9.347
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -14.716
flat angles P-C4'-P energy: -6.922
tors. eta vs tors. theta energy: -6.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -77.356093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.356093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.356093 (E_RNA)
where:
Base-Base interactions energy: -23.803
where: short stacking energy: -23.360
Base-Backbone interact. energy: -0.114
local terms energy: -53.438368
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -10.162
flat angles P-C4'-P energy: -7.983
tors. eta vs tors. theta energy: -3.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -229.163056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.163056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.163056 (E_RNA)
where:
Base-Base interactions energy: -151.443
where: short stacking energy: -72.396
Base-Backbone interact. energy: -0.005
local terms energy: -77.715148
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -20.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -220.682280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.682280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.682280 (E_RNA)
where:
Base-Base interactions energy: -147.929
where: short stacking energy: -70.568
Base-Backbone interact. energy: -0.079
local terms energy: -72.674557
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -5.917
tors. eta vs tors. theta energy: -20.056
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: 3, replica: 6
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -212.787783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.787783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.787783 (E_RNA)
where:
Base-Base interactions energy: -135.818
where: short stacking energy: -60.118
Base-Backbone interact. energy: -0.039
local terms energy: -76.931116
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -12.479
tors. eta vs tors. theta energy: -18.819
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: 10
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -213.172214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.172214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.172214 (E_RNA)
where:
Base-Base interactions energy: -138.697
where: short stacking energy: -70.603
Base-Backbone interact. energy: -0.798
local terms energy: -73.677544
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -12.834
flat angles P-C4'-P energy: -12.435
tors. eta vs tors. theta energy: -19.682
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: 8
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -217.524485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.524485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.524485 (E_RNA)
where:
Base-Base interactions energy: -147.400
where: short stacking energy: -71.926
Base-Backbone interact. energy: -0.002
local terms energy: -70.122380
where:
bonds (distance) C4'-P energy: -12.751
bonds (distance) P-C4' energy: -12.051
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -21.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -217.884366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.884366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.884366 (E_RNA)
where:
Base-Base interactions energy: -138.798
where: short stacking energy: -68.240
Base-Backbone interact. energy: -0.021
local terms energy: -79.065518
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -17.036
flat angles P-C4'-P energy: -12.166
tors. eta vs tors. theta energy: -18.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -157.819161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.819161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.819161 (E_RNA)
where:
Base-Base interactions energy: -97.129
where: short stacking energy: -50.588
Base-Backbone interact. energy: -0.010
local terms energy: -60.680681
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -11.758
flat angles C4'-P-C4' energy: -9.309
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -11.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -115.914673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.914673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.914673 (E_RNA)
where:
Base-Base interactions energy: -58.909
where: short stacking energy: -42.054
Base-Backbone interact. energy: -0.100
local terms energy: -56.905783
where:
bonds (distance) C4'-P energy: -12.055
bonds (distance) P-C4' energy: -12.407
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -8.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -74.185066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.185066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.185066 (E_RNA)
where:
Base-Base interactions energy: -34.356
where: short stacking energy: -32.271
Base-Backbone interact. energy: -0.095
local terms energy: -39.734410
where:
bonds (distance) C4'-P energy: -5.189
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -1.366
tors. eta vs tors. theta energy: -4.183
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: 9
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -77.253135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.253135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.253135 (E_RNA)
where:
Base-Base interactions energy: -35.876
where: short stacking energy: -19.492
Base-Backbone interact. energy: -0.025
local terms energy: -41.352027
where:
bonds (distance) C4'-P energy: -7.331
bonds (distance) P-C4' energy: -10.067
flat angles C4'-P-C4' energy: -10.528
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -3.283
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: 3
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -239.419208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.419208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.419208 (E_RNA)
where:
Base-Base interactions energy: -157.783
where: short stacking energy: -76.245
Base-Backbone interact. energy: -0.025
local terms energy: -81.611276
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -14.720
tors. eta vs tors. theta energy: -20.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -210.621948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.621948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.621948 (E_RNA)
where:
Base-Base interactions energy: -137.173
where: short stacking energy: -60.405
Base-Backbone interact. energy: -0.012
local terms energy: -73.436919
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -12.372
tors. eta vs tors. theta energy: -16.673
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: 2
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -221.794992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.794992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.794992 (E_RNA)
where:
Base-Base interactions energy: -146.108
where: short stacking energy: -65.494
Base-Backbone interact. energy: -0.098
local terms energy: -75.588804
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -16.659
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -12.610
tors. eta vs tors. theta energy: -18.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -219.395893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.395893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.395893 (E_RNA)
where:
Base-Base interactions energy: -142.168
where: short stacking energy: -69.296
Base-Backbone interact. energy: -0.274
local terms energy: -76.953513
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -20.333
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: 8
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -209.003767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.003767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.003767 (E_RNA)
where:
Base-Base interactions energy: -134.627
where: short stacking energy: -60.547
Base-Backbone interact. energy: -0.276
local terms energy: -74.101570
where:
bonds (distance) C4'-P energy: -16.225
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -17.241
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -16.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -208.826302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.826302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.826302 (E_RNA)
where:
Base-Base interactions energy: -135.678
where: short stacking energy: -67.569
Base-Backbone interact. energy: -0.083
local terms energy: -73.065086
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -14.907
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -17.654
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: 5
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -176.211957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.211957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.211957 (E_RNA)
where:
Base-Base interactions energy: -109.519
where: short stacking energy: -56.925
Base-Backbone interact. energy: -0.006
local terms energy: -66.686540
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -14.527
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -11.358
tors. eta vs tors. theta energy: -13.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -84.263999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.263999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.263999 (E_RNA)
where:
Base-Base interactions energy: -44.239
where: short stacking energy: -26.249
Base-Backbone interact. energy: -0.636
local terms energy: -39.388983
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -11.048
flat angles P-C4'-P energy: -5.267
tors. eta vs tors. theta energy: 4.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -88.194265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.194265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.194265 (E_RNA)
where:
Base-Base interactions energy: -33.395
where: short stacking energy: -19.618
Base-Backbone interact. energy: -0.148
local terms energy: -54.650772
where:
bonds (distance) C4'-P energy: -15.056
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -10.441
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -2.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -74.144110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.144110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.144110 (E_RNA)
where:
Base-Base interactions energy: -33.278
where: short stacking energy: -26.019
Base-Backbone interact. energy: -0.078
local terms energy: -40.787412
where:
bonds (distance) C4'-P energy: -7.203
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -5.905
tors. eta vs tors. theta energy: 0.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -232.418521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.418521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.418521 (E_RNA)
where:
Base-Base interactions energy: -152.357
where: short stacking energy: -71.811
Base-Backbone interact. energy: -0.216
local terms energy: -79.845185
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -12.679
tors. eta vs tors. theta energy: -22.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -230.328790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.328790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.328790 (E_RNA)
where:
Base-Base interactions energy: -152.628
where: short stacking energy: -70.555
Base-Backbone interact. energy: -0.042
local terms energy: -77.659574
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -18.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -224.740524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.740524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.740524 (E_RNA)
where:
Base-Base interactions energy: -152.446
where: short stacking energy: -68.244
Base-Backbone interact. energy: -0.174
local terms energy: -72.120830
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -17.313
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: 2
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -213.907804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.907804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.907804 (E_RNA)
where:
Base-Base interactions energy: -156.055
where: short stacking energy: -62.842
Base-Backbone interact. energy: -0.209
local terms energy: -57.644292
where:
bonds (distance) C4'-P energy: -12.156
bonds (distance) P-C4' energy: -10.682
flat angles C4'-P-C4' energy: -13.509
flat angles P-C4'-P energy: -5.373
tors. eta vs tors. theta energy: -15.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -199.198447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.198447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.198447 (E_RNA)
where:
Base-Base interactions energy: -127.464
where: short stacking energy: -54.443
Base-Backbone interact. energy: -0.700
local terms energy: -71.035291
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -14.941
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -12.570
tors. eta vs tors. theta energy: -14.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -200.842794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.842794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.842794 (E_RNA)
where:
Base-Base interactions energy: -138.066
where: short stacking energy: -58.933
Base-Backbone interact. energy: -0.152
local terms energy: -62.624586
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -12.295
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -5.364
tors. eta vs tors. theta energy: -16.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -162.968087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.968087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.968087 (E_RNA)
where:
Base-Base interactions energy: -103.007
where: short stacking energy: -49.157
Base-Backbone interact. energy: -0.019
local terms energy: -59.942222
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -10.875
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: -10.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -89.110204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.110204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.110204 (E_RNA)
where:
Base-Base interactions energy: -37.654
where: short stacking energy: -29.711
Base-Backbone interact. energy: -0.368
local terms energy: -51.088308
where:
bonds (distance) C4'-P energy: -11.382
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -5.954
tors. eta vs tors. theta energy: -4.339
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: 9
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -82.491113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.491113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.491113 (E_RNA)
where:
Base-Base interactions energy: -29.145
where: short stacking energy: -29.145
Base-Backbone interact. energy: -0.041
local terms energy: -53.304835
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -8.713
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -8.959
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: 4
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -71.140919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.140919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.140919 (E_RNA)
where:
Base-Base interactions energy: -21.143
where: short stacking energy: -20.128
Base-Backbone interact. energy: -1.458
local terms energy: -48.539708
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -13.509
flat angles P-C4'-P energy: -5.434
tors. eta vs tors. theta energy: 2.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -236.339513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.339513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.339513 (E_RNA)
where:
Base-Base interactions energy: -155.772
where: short stacking energy: -78.220
Base-Backbone interact. energy: -0.023
local terms energy: -80.545279
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -14.120
tors. eta vs tors. theta energy: -21.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -224.141080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.141080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.141080 (E_RNA)
where:
Base-Base interactions energy: -146.316
where: short stacking energy: -72.210
Base-Backbone interact. energy: -0.558
local terms energy: -77.267351
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -15.182
tors. eta vs tors. theta energy: -19.046
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: 3, replica: 3
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -215.444851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.444851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.444851 (E_RNA)
where:
Base-Base interactions energy: -149.308
where: short stacking energy: -69.810
Base-Backbone interact. energy: -0.001
local terms energy: -66.136367
where:
bonds (distance) C4'-P energy: -7.449
bonds (distance) P-C4' energy: -8.710
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -13.006
tors. eta vs tors. theta energy: -20.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -218.174040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.174040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.174040 (E_RNA)
where:
Base-Base interactions energy: -141.864
where: short stacking energy: -74.655
Base-Backbone interact. energy: -0.119
local terms energy: -76.190688
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -13.112
flat angles C4'-P-C4' energy: -17.104
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -19.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -205.314889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.314889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.314889 (E_RNA)
where:
Base-Base interactions energy: -137.139
where: short stacking energy: -61.608
Base-Backbone interact. energy: -0.057
local terms energy: -68.118942
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -10.054
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -14.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -204.458918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.458918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.458918 (E_RNA)
where:
Base-Base interactions energy: -137.444
where: short stacking energy: -58.046
Base-Backbone interact. energy: -0.048
local terms energy: -66.967638
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -12.148
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -19.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -156.475187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.475187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.475187 (E_RNA)
where:
Base-Base interactions energy: -104.538
where: short stacking energy: -49.424
Base-Backbone interact. energy: -0.003
local terms energy: -51.933501
where:
bonds (distance) C4'-P energy: -11.483
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -4.801
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -13.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -85.048588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.048588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.048588 (E_RNA)
where:
Base-Base interactions energy: -27.801
where: short stacking energy: -26.028
Base-Backbone interact. energy: -0.122
local terms energy: -57.125815
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: -1.342
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: 9, replica: 1
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -78.737672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.737672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.737672 (E_RNA)
where:
Base-Base interactions energy: -31.709
where: short stacking energy: -24.374
Base-Backbone interact. energy: -0.181
local terms energy: -46.847563
where:
bonds (distance) C4'-P energy: -9.189
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -1.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -76.699640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.699640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.699640 (E_RNA)
where:
Base-Base interactions energy: -30.751
where: short stacking energy: -25.785
Base-Backbone interact. energy: -0.101
local terms energy: -45.847792
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -11.054
flat angles C4'-P-C4' energy: -10.548
flat angles P-C4'-P energy: -6.645
tors. eta vs tors. theta energy: -4.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -222.270367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.270367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.270367 (E_RNA)
where:
Base-Base interactions energy: -145.343
where: short stacking energy: -67.759
Base-Backbone interact. energy: -0.003
local terms energy: -76.924450
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -13.276
tors. eta vs tors. theta energy: -17.895
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: 2, replica: 6
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -228.477270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.477270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.477270 (E_RNA)
where:
Base-Base interactions energy: -153.570
where: short stacking energy: -74.953
Base-Backbone interact. energy: -0.025
local terms energy: -74.882929
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -11.412
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -10.311
tors. eta vs tors. theta energy: -23.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -222.246933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.246933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.246933 (E_RNA)
where:
Base-Base interactions energy: -143.326
where: short stacking energy: -71.108
Base-Backbone interact. energy: 0.236
local terms energy: -79.157178
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -22.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -219.540587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.540587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.540587 (E_RNA)
where:
Base-Base interactions energy: -145.625
where: short stacking energy: -73.485
Base-Backbone interact. energy: -0.002
local terms energy: -73.914102
where:
bonds (distance) C4'-P energy: -10.361
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -18.147
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -20.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -218.882440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.882440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.882440 (E_RNA)
where:
Base-Base interactions energy: -145.004
where: short stacking energy: -67.426
Base-Backbone interact. energy: -0.341
local terms energy: -73.537491
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -15.317
flat angles P-C4'-P energy: -7.467
tors. eta vs tors. theta energy: -16.838
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: 8
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -201.100133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.100133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.100133 (E_RNA)
where:
Base-Base interactions energy: -134.580
where: short stacking energy: -61.656
Base-Backbone interact. energy: -0.103
local terms energy: -66.417701
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -11.020
tors. eta vs tors. theta energy: -14.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -149.284565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.284565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.284565 (E_RNA)
where:
Base-Base interactions energy: -99.757
where: short stacking energy: -43.125
Base-Backbone interact. energy: -0.104
local terms energy: -49.423311
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -7.060
flat angles C4'-P-C4' energy: -10.731
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -8.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -85.911651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.911651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.911651 (E_RNA)
where:
Base-Base interactions energy: -27.799
where: short stacking energy: -26.298
Base-Backbone interact. energy: -0.564
local terms energy: -57.549063
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -5.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -87.328892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.328892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.328892 (E_RNA)
where:
Base-Base interactions energy: -46.766
where: short stacking energy: -29.383
Base-Backbone interact. energy: 0.359
local terms energy: -40.922018
where:
bonds (distance) C4'-P energy: -10.587
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -6.655
flat angles P-C4'-P energy: -4.538
tors. eta vs tors. theta energy: -4.344
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: 1
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -76.023527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.023527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.023527 (E_RNA)
where:
Base-Base interactions energy: -28.374
where: short stacking energy: -25.981
Base-Backbone interact. energy: 0.092
local terms energy: -47.742014
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -13.196
flat angles C4'-P-C4' energy: -11.422
flat angles P-C4'-P energy: -5.531
tors. eta vs tors. theta energy: -3.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -225.163804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.163804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.163804 (E_RNA)
where:
Base-Base interactions energy: -149.539
where: short stacking energy: -64.265
Base-Backbone interact. energy: -0.678
local terms energy: -74.947020
where:
bonds (distance) C4'-P energy: -13.508
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -17.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -226.746991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.746991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.746991 (E_RNA)
where:
Base-Base interactions energy: -146.443
where: short stacking energy: -71.872
Base-Backbone interact. energy: -0.099
local terms energy: -80.205008
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -17.630
flat angles P-C4'-P energy: -7.827
tors. eta vs tors. theta energy: -23.268
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: 6
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -217.455980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.455980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.455980 (E_RNA)
where:
Base-Base interactions energy: -139.399
where: short stacking energy: -67.995
Base-Backbone interact. energy: -0.067
local terms energy: -77.990415
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -18.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -224.637129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.637129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.637129 (E_RNA)
where:
Base-Base interactions energy: -148.147
where: short stacking energy: -69.814
Base-Backbone interact. energy: -0.192
local terms energy: -76.298946
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -15.074
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -13.616
tors. eta vs tors. theta energy: -19.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -204.001374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.001374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.001374 (E_RNA)
where:
Base-Base interactions energy: -131.371
where: short stacking energy: -68.144
Base-Backbone interact. energy: 0.911
local terms energy: -73.541333
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -17.596
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: 6, replica: 5
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -175.396824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.396824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.396824 (E_RNA)
where:
Base-Base interactions energy: -111.617
where: short stacking energy: -59.678
Base-Backbone interact. energy: -0.001
local terms energy: -63.778339
where:
bonds (distance) C4'-P energy: -11.400
bonds (distance) P-C4' energy: -9.506
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -19.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -193.459578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.459578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.459578 (E_RNA)
where:
Base-Base interactions energy: -133.340
where: short stacking energy: -58.320
Base-Backbone interact. energy: 0.544
local terms energy: -60.663044
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -11.636
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -6.490
tors. eta vs tors. theta energy: -15.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -87.618629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.618629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.618629 (E_RNA)
where:
Base-Base interactions energy: -33.939
where: short stacking energy: -26.275
Base-Backbone interact. energy: 0.092
local terms energy: -53.770988
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -11.667
flat angles P-C4'-P energy: -4.011
tors. eta vs tors. theta energy: -7.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -76.784668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.784668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.784668 (E_RNA)
where:
Base-Base interactions energy: -26.343
where: short stacking energy: -26.343
Base-Backbone interact. energy: -0.016
local terms energy: -50.425936
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -0.607
tors. eta vs tors. theta energy: -8.730
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: 1
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -85.871993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.871993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.871993 (E_RNA)
where:
Base-Base interactions energy: -30.114
where: short stacking energy: -30.114
Base-Backbone interact. energy: -0.034
local terms energy: -55.724115
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -5.134
tors. eta vs tors. theta energy: -7.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -239.226768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.226768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.226768 (E_RNA)
where:
Base-Base interactions energy: -156.510
where: short stacking energy: -70.457
Base-Backbone interact. energy: -0.001
local terms energy: -82.715262
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -17.330
flat angles P-C4'-P energy: -11.383
tors. eta vs tors. theta energy: -21.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -221.402821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.402821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.402821 (E_RNA)
where:
Base-Base interactions energy: -147.381
where: short stacking energy: -65.995
Base-Backbone interact. energy: -0.000
local terms energy: -74.021742
where:
bonds (distance) C4'-P energy: -15.847
bonds (distance) P-C4' energy: -12.019
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -19.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -230.100603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.100603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.100603 (E_RNA)
where:
Base-Base interactions energy: -148.898
where: short stacking energy: -74.482
Base-Backbone interact. energy: -0.006
local terms energy: -81.196867
where:
bonds (distance) C4'-P energy: -12.631
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -13.133
tors. eta vs tors. theta energy: -23.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -215.083609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.083609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.083609 (E_RNA)
where:
Base-Base interactions energy: -143.279
where: short stacking energy: -62.683
Base-Backbone interact. energy: -0.373
local terms energy: -71.431421
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -5.875
tors. eta vs tors. theta energy: -18.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -192.733960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.733960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.733960 (E_RNA)
where:
Base-Base interactions energy: -120.638
where: short stacking energy: -62.971
Base-Backbone interact. energy: -0.100
local terms energy: -71.995771
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -18.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -199.788434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.788434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.788434 (E_RNA)
where:
Base-Base interactions energy: -129.575
where: short stacking energy: -67.964
Base-Backbone interact. energy: -0.024
local terms energy: -70.189532
where:
bonds (distance) C4'-P energy: -11.336
bonds (distance) P-C4' energy: -16.073
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -17.087
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: 8
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -192.887785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.887785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.887785 (E_RNA)
where:
Base-Base interactions energy: -127.247
where: short stacking energy: -64.442
Base-Backbone interact. energy: -0.411
local terms energy: -65.229896
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -12.885
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: -16.700
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: 4
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -87.459648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.459648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.459648 (E_RNA)
where:
Base-Base interactions energy: -42.795
where: short stacking energy: -27.941
Base-Backbone interact. energy: -0.123
local terms energy: -44.541533
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -9.670
flat angles P-C4'-P energy: -4.394
tors. eta vs tors. theta energy: -2.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -89.471294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.471294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.471294 (E_RNA)
where:
Base-Base interactions energy: -39.993
where: short stacking energy: -34.162
Base-Backbone interact. energy: 1.586
local terms energy: -51.063759
where:
bonds (distance) C4'-P energy: -10.377
bonds (distance) P-C4' energy: -14.386
flat angles C4'-P-C4' energy: -11.133
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -4.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -83.762795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.762795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.762795 (E_RNA)
where:
Base-Base interactions energy: -34.630
where: short stacking energy: -34.630
Base-Backbone interact. energy: -0.109
local terms energy: -49.024019
where:
bonds (distance) C4'-P energy: -8.659
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: -6.549
tors. eta vs tors. theta energy: -5.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -231.506106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.506106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.506106 (E_RNA)
where:
Base-Base interactions energy: -155.573
where: short stacking energy: -77.621
Base-Backbone interact. energy: -0.004
local terms energy: -75.929198
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -17.031
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -21.331
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: 3
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -223.812074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.812074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.812074 (E_RNA)
where:
Base-Base interactions energy: -143.635
where: short stacking energy: -71.951
Base-Backbone interact. energy: -0.327
local terms energy: -79.849689
where:
bonds (distance) C4'-P energy: -16.313
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -12.762
tors. eta vs tors. theta energy: -20.298
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: 10
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -227.030255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.030255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.030255 (E_RNA)
where:
Base-Base interactions energy: -143.972
where: short stacking energy: -66.597
Base-Backbone interact. energy: -0.001
local terms energy: -83.057370
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -12.796
tors. eta vs tors. theta energy: -20.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -211.970333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.970333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.970333 (E_RNA)
where:
Base-Base interactions energy: -152.307
where: short stacking energy: -71.890
Base-Backbone interact. energy: -0.030
local terms energy: -59.634063
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -7.419
flat angles C4'-P-C4' energy: -11.057
flat angles P-C4'-P energy: -8.405
tors. eta vs tors. theta energy: -15.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -186.736443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.736443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.736443 (E_RNA)
where:
Base-Base interactions energy: -122.989
where: short stacking energy: -63.498
Base-Backbone interact. energy: -0.075
local terms energy: -63.672285
where:
bonds (distance) C4'-P energy: -9.548
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -17.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -198.185650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.185650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.185650 (E_RNA)
where:
Base-Base interactions energy: -130.482
where: short stacking energy: -65.418
Base-Backbone interact. energy: 1.575
local terms energy: -69.278451
where:
bonds (distance) C4'-P energy: -10.077
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -10.236
tors. eta vs tors. theta energy: -15.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -197.588880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.588880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.588880 (E_RNA)
where:
Base-Base interactions energy: -127.404
where: short stacking energy: -59.738
Base-Backbone interact. energy: -0.019
local terms energy: -70.165741
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -12.201
flat angles P-C4'-P energy: -12.391
tors. eta vs tors. theta energy: -13.832
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: 1
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -92.091551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.091551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.091551 (E_RNA)
where:
Base-Base interactions energy: -33.583
where: short stacking energy: -31.564
Base-Backbone interact. energy: -0.100
local terms energy: -58.408123
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -9.635
flat angles C4'-P-C4' energy: -17.264
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -10.501
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: 4
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -77.615103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.615103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.615103 (E_RNA)
where:
Base-Base interactions energy: -23.596
where: short stacking energy: -23.596
Base-Backbone interact. energy: -0.084
local terms energy: -53.934384
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -13.090
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -10.839
tors. eta vs tors. theta energy: -3.254
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: 9
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -83.465741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.465741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.465741 (E_RNA)
where:
Base-Base interactions energy: -38.580
where: short stacking energy: -19.226
Base-Backbone interact. energy: -0.111
local terms energy: -44.774596
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -11.400
flat angles C4'-P-C4' energy: -13.028
flat angles P-C4'-P energy: -5.962
tors. eta vs tors. theta energy: -0.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -230.483112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.483112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.483112 (E_RNA)
where:
Base-Base interactions energy: -155.765
where: short stacking energy: -80.239
Base-Backbone interact. energy: -0.244
local terms energy: -74.473560
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -8.545
tors. eta vs tors. theta energy: -21.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -227.017577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.017577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.017577 (E_RNA)
where:
Base-Base interactions energy: -151.337
where: short stacking energy: -72.316
Base-Backbone interact. energy: -0.704
local terms energy: -74.976670
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -15.419
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -20.494
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: 10
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -227.600842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.600842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.600842 (E_RNA)
where:
Base-Base interactions energy: -146.449
where: short stacking energy: -66.307
Base-Backbone interact. energy: -0.023
local terms energy: -81.129146
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -17.819
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -21.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -207.084618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.084618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.084618 (E_RNA)
where:
Base-Base interactions energy: -129.176
where: short stacking energy: -61.076
Base-Backbone interact. energy: -0.214
local terms energy: -77.694254
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -17.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -166.602886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.602886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.602886 (E_RNA)
where:
Base-Base interactions energy: -100.559
where: short stacking energy: -51.616
Base-Backbone interact. energy: -0.129
local terms energy: -65.915315
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -12.055
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -12.853
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: 5
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -173.639720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.639720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.639720 (E_RNA)
where:
Base-Base interactions energy: -109.171
where: short stacking energy: -55.444
Base-Backbone interact. energy: -0.166
local terms energy: -64.303034
where:
bonds (distance) C4'-P energy: -12.001
bonds (distance) P-C4' energy: -14.590
flat angles C4'-P-C4' energy: -12.029
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -14.608
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: 8
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -198.020682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.020682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.020682 (E_RNA)
where:
Base-Base interactions energy: -130.818
where: short stacking energy: -59.613
Base-Backbone interact. energy: -0.068
local terms energy: -67.134488
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -12.498
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -15.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -110.394633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.394633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.394633 (E_RNA)
where:
Base-Base interactions energy: -52.057
where: short stacking energy: -35.691
Base-Backbone interact. energy: 0.729
local terms energy: -59.066668
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -10.950
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -4.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -85.667944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.667944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.667944 (E_RNA)
where:
Base-Base interactions energy: -31.101
where: short stacking energy: -31.101
Base-Backbone interact. energy: -0.035
local terms energy: -54.532368
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -10.243
flat angles P-C4'-P energy: -8.179
tors. eta vs tors. theta energy: -4.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -78.300782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.300782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.300782 (E_RNA)
where:
Base-Base interactions energy: -39.273
where: short stacking energy: -27.543
Base-Backbone interact. energy: 1.249
local terms energy: -40.276242
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -10.936
flat angles C4'-P-C4' energy: -9.958
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: 3.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -231.510207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.510207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.510207 (E_RNA)
where:
Base-Base interactions energy: -146.988
where: short stacking energy: -73.070
Base-Backbone interact. energy: -0.056
local terms energy: -84.465702
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -18.525
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -20.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -225.425995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.425995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.425995 (E_RNA)
where:
Base-Base interactions energy: -149.455
where: short stacking energy: -75.228
Base-Backbone interact. energy: -0.471
local terms energy: -75.499945
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -15.418
flat angles P-C4'-P energy: -12.683
tors. eta vs tors. theta energy: -18.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -217.621962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.621962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.621962 (E_RNA)
where:
Base-Base interactions energy: -143.562
where: short stacking energy: -69.246
Base-Backbone interact. energy: -0.051
local terms energy: -74.008999
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -7.179
tors. eta vs tors. theta energy: -18.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -205.118531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.118531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.118531 (E_RNA)
where:
Base-Base interactions energy: -128.692
where: short stacking energy: -61.181
Base-Backbone interact. energy: -0.691
local terms energy: -75.735698
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -13.133
tors. eta vs tors. theta energy: -15.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -184.509710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.509710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.509710 (E_RNA)
where:
Base-Base interactions energy: -117.822
where: short stacking energy: -64.789
Base-Backbone interact. energy: -0.360
local terms energy: -66.327541
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -14.457
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: -14.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -204.714730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.714730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.714730 (E_RNA)
where:
Base-Base interactions energy: -133.518
where: short stacking energy: -71.484
Base-Backbone interact. energy: -0.534
local terms energy: -70.663245
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -20.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -163.326376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.326376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.326376 (E_RNA)
where:
Base-Base interactions energy: -99.445
where: short stacking energy: -54.587
Base-Backbone interact. energy: -0.919
local terms energy: -62.961807
where:
bonds (distance) C4'-P energy: -11.408
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -10.100
flat angles P-C4'-P energy: -13.406
tors. eta vs tors. theta energy: -12.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -90.484704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.484704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.484704 (E_RNA)
where:
Base-Base interactions energy: -40.132
where: short stacking energy: -37.204
Base-Backbone interact. energy: -0.310
local terms energy: -50.042445
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -9.528
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -6.199
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: 9, replica: 1
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -78.675640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.675640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.675640 (E_RNA)
where:
Base-Base interactions energy: -20.651
where: short stacking energy: -20.651
Base-Backbone interact. energy: -0.647
local terms energy: -57.378203
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -14.512
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -12.687
tors. eta vs tors. theta energy: -1.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -77.523704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.523704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.523704 (E_RNA)
where:
Base-Base interactions energy: -33.557
where: short stacking energy: -22.401
Base-Backbone interact. energy: -0.062
local terms energy: -43.904358
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -11.042
flat angles P-C4'-P energy: -7.183
tors. eta vs tors. theta energy: 0.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -231.730879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.730879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.730879 (E_RNA)
where:
Base-Base interactions energy: -154.648
where: short stacking energy: -76.177
Base-Backbone interact. energy: -0.681
local terms energy: -76.401309
where:
bonds (distance) C4'-P energy: -10.630
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -16.252
flat angles P-C4'-P energy: -12.738
tors. eta vs tors. theta energy: -20.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -227.427392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.427392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.427392 (E_RNA)
where:
Base-Base interactions energy: -145.463
where: short stacking energy: -68.511
Base-Backbone interact. energy: -0.192
local terms energy: -81.772171
where:
bonds (distance) C4'-P energy: -16.848
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -21.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -220.256702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.256702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.256702 (E_RNA)
where:
Base-Base interactions energy: -143.860
where: short stacking energy: -68.827
Base-Backbone interact. energy: -0.625
local terms energy: -75.771692
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -12.419
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -22.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -231.321080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.321080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.321080 (E_RNA)
where:
Base-Base interactions energy: -153.690
where: short stacking energy: -70.492
Base-Backbone interact. energy: -0.283
local terms energy: -77.347667
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -20.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -220.104737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.104737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.104737 (E_RNA)
where:
Base-Base interactions energy: -145.322
where: short stacking energy: -72.085
Base-Backbone interact. energy: -0.306
local terms energy: -74.476137
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -8.721
tors. eta vs tors. theta energy: -21.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -188.138370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.138370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.138370 (E_RNA)
where:
Base-Base interactions energy: -125.828
where: short stacking energy: -57.033
Base-Backbone interact. energy: -0.048
local terms energy: -62.262512
where:
bonds (distance) C4'-P energy: -8.671
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -14.791
flat angles P-C4'-P energy: -7.506
tors. eta vs tors. theta energy: -15.872
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: 5
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -151.680354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.680354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.680354 (E_RNA)
where:
Base-Base interactions energy: -96.833
where: short stacking energy: -33.407
Base-Backbone interact. energy: 0.106
local terms energy: -54.953746
where:
bonds (distance) C4'-P energy: -17.258
bonds (distance) P-C4' energy: -15.239
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -6.266
tors. eta vs tors. theta energy: -3.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -90.376696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.376696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.376696 (E_RNA)
where:
Base-Base interactions energy: -33.353
where: short stacking energy: -33.353
Base-Backbone interact. energy: -0.110
local terms energy: -56.913562
where:
bonds (distance) C4'-P energy: -11.112
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -4.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -72.727008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.727008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.727008 (E_RNA)
where:
Base-Base interactions energy: -26.745
where: short stacking energy: -12.038
Base-Backbone interact. energy: -0.167
local terms energy: -45.815650
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -12.542
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -7.437
tors. eta vs tors. theta energy: 2.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -81.447162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.447162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.447162 (E_RNA)
where:
Base-Base interactions energy: -27.545
where: short stacking energy: -26.964
Base-Backbone interact. energy: 2.492
local terms energy: -56.394055
where:
bonds (distance) C4'-P energy: -9.723
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -4.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -227.475039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.475039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.475039 (E_RNA)
where:
Base-Base interactions energy: -144.362
where: short stacking energy: -78.104
Base-Backbone interact. energy: -0.301
local terms energy: -82.811447
where:
bonds (distance) C4'-P energy: -16.194
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -16.997
flat angles P-C4'-P energy: -12.700
tors. eta vs tors. theta energy: -20.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -233.497875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.497875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.497875 (E_RNA)
where:
Base-Base interactions energy: -151.151
where: short stacking energy: -74.782
Base-Backbone interact. energy: -2.364
local terms energy: -79.982427
where:
bonds (distance) C4'-P energy: -11.600
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -13.935
tors. eta vs tors. theta energy: -22.445
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: 6
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -226.677574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.677574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.677574 (E_RNA)
where:
Base-Base interactions energy: -146.045
where: short stacking energy: -69.073
Base-Backbone interact. energy: -1.311
local terms energy: -79.321584
where:
bonds (distance) C4'-P energy: -17.026
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -17.822
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: -18.749
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: 2
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -215.888759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.888759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.888759 (E_RNA)
where:
Base-Base interactions energy: -139.268
where: short stacking energy: -73.494
Base-Backbone interact. energy: -0.049
local terms energy: -76.571397
where:
bonds (distance) C4'-P energy: -11.939
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -9.958
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: 5, replica: 8
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -197.705443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.705443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.705443 (E_RNA)
where:
Base-Base interactions energy: -131.556
where: short stacking energy: -52.968
Base-Backbone interact. energy: -0.186
local terms energy: -65.963865
where:
bonds (distance) C4'-P energy: -10.613
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -18.119
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: -13.760
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: 7
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -200.213981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.213981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.213981 (E_RNA)
where:
Base-Base interactions energy: -131.886
where: short stacking energy: -65.360
Base-Backbone interact. energy: -0.127
local terms energy: -68.201230
where:
bonds (distance) C4'-P energy: -11.706
bonds (distance) P-C4' energy: -10.323
flat angles C4'-P-C4' energy: -17.838
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -19.412
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: 5
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -175.743122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.743122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.743122 (E_RNA)
where:
Base-Base interactions energy: -107.511
where: short stacking energy: -59.070
Base-Backbone interact. energy: -0.820
local terms energy: -67.411394
where:
bonds (distance) C4'-P energy: -13.023
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -6.876
tors. eta vs tors. theta energy: -17.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -91.747862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.747862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.747862 (E_RNA)
where:
Base-Base interactions energy: -37.704
where: short stacking energy: -24.690
Base-Backbone interact. energy: -0.319
local terms energy: -53.725268
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: 0.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -80.334888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.334888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.334888 (E_RNA)
where:
Base-Base interactions energy: -34.867
where: short stacking energy: -27.708
Base-Backbone interact. energy: -0.402
local terms energy: -45.065524
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -14.481
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -6.107
tors. eta vs tors. theta energy: 2.987
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: 1
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -92.401812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.401812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.401812 (E_RNA)
where:
Base-Base interactions energy: -36.792
where: short stacking energy: -37.831
Base-Backbone interact. energy: -0.427
local terms energy: -55.182585
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -7.736
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: 10
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -239.947822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.947822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.947822 (E_RNA)
where:
Base-Base interactions energy: -159.250
where: short stacking energy: -76.312
Base-Backbone interact. energy: -0.008
local terms energy: -80.689646
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -16.479
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -13.146
tors. eta vs tors. theta energy: -19.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -228.787825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.787825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.787825 (E_RNA)
where:
Base-Base interactions energy: -149.562
where: short stacking energy: -67.876
Base-Backbone interact. energy: -0.418
local terms energy: -78.808177
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -16.301
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -19.332
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: 2
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -220.431533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.431533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.431533 (E_RNA)
where:
Base-Base interactions energy: -148.176
where: short stacking energy: -74.492
Base-Backbone interact. energy: -0.677
local terms energy: -71.578452
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -16.284
flat angles P-C4'-P energy: -4.971
tors. eta vs tors. theta energy: -20.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -216.580872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.580872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.580872 (E_RNA)
where:
Base-Base interactions energy: -145.671
where: short stacking energy: -69.982
Base-Backbone interact. energy: -0.001
local terms energy: -70.908643
where:
bonds (distance) C4'-P energy: -10.265
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -21.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -196.475140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.475140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.475140 (E_RNA)
where:
Base-Base interactions energy: -133.133
where: short stacking energy: -63.247
Base-Backbone interact. energy: 0.932
local terms energy: -64.273749
where:
bonds (distance) C4'-P energy: -13.074
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -3.820
tors. eta vs tors. theta energy: -13.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -196.318933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.318933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.318933 (E_RNA)
where:
Base-Base interactions energy: -120.155
where: short stacking energy: -51.988
Base-Backbone interact. energy: -0.022
local terms energy: -76.142222
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -11.001
tors. eta vs tors. theta energy: -17.525
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: 5
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -166.336561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.336561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.336561 (E_RNA)
where:
Base-Base interactions energy: -98.558
where: short stacking energy: -46.080
Base-Backbone interact. energy: -0.399
local terms energy: -67.379317
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -14.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -100.739316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.739316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.739316 (E_RNA)
where:
Base-Base interactions energy: -54.217
where: short stacking energy: -24.587
Base-Backbone interact. energy: 0.383
local terms energy: -46.905686
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -13.423
flat angles P-C4'-P energy: -6.354
tors. eta vs tors. theta energy: -1.587
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: 1
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -94.875149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.875149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.875149 (E_RNA)
where:
Base-Base interactions energy: -29.889
where: short stacking energy: -29.440
Base-Backbone interact. energy: -0.052
local terms energy: -64.933915
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -8.765
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: 4
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -76.347391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.347391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.347391 (E_RNA)
where:
Base-Base interactions energy: -27.727
where: short stacking energy: -21.659
Base-Backbone interact. energy: 0.894
local terms energy: -49.514600
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -4.648
tors. eta vs tors. theta energy: -1.952
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: 10
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -233.290497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.290497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.290497 (E_RNA)
where:
Base-Base interactions energy: -151.415
where: short stacking energy: -70.954
Base-Backbone interact. energy: -0.158
local terms energy: -81.717166
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -13.310
tors. eta vs tors. theta energy: -19.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -219.200779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.200779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.200779 (E_RNA)
where:
Base-Base interactions energy: -139.868
where: short stacking energy: -70.616
Base-Backbone interact. energy: -0.171
local terms energy: -79.161247
where:
bonds (distance) C4'-P energy: -16.818
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -13.911
tors. eta vs tors. theta energy: -18.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -217.479434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.479434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.479434 (E_RNA)
where:
Base-Base interactions energy: -147.575
where: short stacking energy: -70.056
Base-Backbone interact. energy: 0.206
local terms energy: -70.110766
where:
bonds (distance) C4'-P energy: -10.363
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -11.833
flat angles P-C4'-P energy: -12.642
tors. eta vs tors. theta energy: -18.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -228.090216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.090216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.090216 (E_RNA)
where:
Base-Base interactions energy: -156.668
where: short stacking energy: -69.367
Base-Backbone interact. energy: -0.126
local terms energy: -71.295462
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -7.103
tors. eta vs tors. theta energy: -20.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -216.743569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.743569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.743569 (E_RNA)
where:
Base-Base interactions energy: -143.856
where: short stacking energy: -68.503
Base-Backbone interact. energy: -0.172
local terms energy: -72.715733
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -17.697
flat angles P-C4'-P energy: -4.255
tors. eta vs tors. theta energy: -20.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -166.955551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.955551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.955551 (E_RNA)
where:
Base-Base interactions energy: -108.070
where: short stacking energy: -37.342
Base-Backbone interact. energy: -0.179
local terms energy: -58.707092
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -8.184
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: 8
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -192.412147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.412147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.412147 (E_RNA)
where:
Base-Base interactions energy: -126.394
where: short stacking energy: -61.292
Base-Backbone interact. energy: -0.035
local terms energy: -65.982891
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -8.208
tors. eta vs tors. theta energy: -12.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -85.968109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.968109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.968109 (E_RNA)
where:
Base-Base interactions energy: -36.021
where: short stacking energy: -33.394
Base-Backbone interact. energy: -0.133
local terms energy: -49.814215
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -12.244
flat angles P-C4'-P energy: -4.884
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: 9, replica: 9
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -84.282653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.282653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.282653 (E_RNA)
where:
Base-Base interactions energy: -47.120
where: short stacking energy: -24.556
Base-Backbone interact. energy: -0.102
local terms energy: -37.060644
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -10.297
flat angles C4'-P-C4' energy: -9.455
flat angles P-C4'-P energy: -4.982
tors. eta vs tors. theta energy: 2.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -79.457192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.457192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.457192 (E_RNA)
where:
Base-Base interactions energy: -27.616
where: short stacking energy: -21.081
Base-Backbone interact. energy: -0.100
local terms energy: -51.741375
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: 1.083
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: 1, replica: 2
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -231.784945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.784945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.784945 (E_RNA)
where:
Base-Base interactions energy: -152.080
where: short stacking energy: -73.392
Base-Backbone interact. energy: -0.469
local terms energy: -79.236652
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -18.474
flat angles P-C4'-P energy: -12.402
tors. eta vs tors. theta energy: -18.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -225.103497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.103497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.103497 (E_RNA)
where:
Base-Base interactions energy: -145.316
where: short stacking energy: -70.091
Base-Backbone interact. energy: 1.322
local terms energy: -81.109045
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -16.533
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -19.938
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: 6
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -222.621737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.621737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.621737 (E_RNA)
where:
Base-Base interactions energy: -148.665
where: short stacking energy: -68.626
Base-Backbone interact. energy: -0.771
local terms energy: -73.185844
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -20.289
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: 4, replica: 3
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -214.043678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.043678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.043678 (E_RNA)
where:
Base-Base interactions energy: -142.103
where: short stacking energy: -63.417
Base-Backbone interact. energy: -0.014
local terms energy: -71.926558
where:
bonds (distance) C4'-P energy: -11.713
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -17.124
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -18.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -200.836940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.836940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.836940 (E_RNA)
where:
Base-Base interactions energy: -124.789
where: short stacking energy: -57.115
Base-Backbone interact. energy: -0.662
local terms energy: -75.386309
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -12.017
tors. eta vs tors. theta energy: -13.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -172.546108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.546108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.546108 (E_RNA)
where:
Base-Base interactions energy: -110.158
where: short stacking energy: -46.517
Base-Backbone interact. energy: 0.623
local terms energy: -63.011216
where:
bonds (distance) C4'-P energy: -10.129
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -7.281
tors. eta vs tors. theta energy: -14.157
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: 8
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -190.374895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.374895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.374895 (E_RNA)
where:
Base-Base interactions energy: -126.698
where: short stacking energy: -59.253
Base-Backbone interact. energy: -0.233
local terms energy: -63.443284
where:
bonds (distance) C4'-P energy: -12.181
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: -17.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -88.828998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.828998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.828998 (E_RNA)
where:
Base-Base interactions energy: -33.590
where: short stacking energy: -33.267
Base-Backbone interact. energy: -0.415
local terms energy: -54.823323
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -13.365
flat angles C4'-P-C4' energy: -12.263
flat angles P-C4'-P energy: -6.624
tors. eta vs tors. theta energy: -6.927
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: 9, replica: 9
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -96.326621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.326621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.326621 (E_RNA)
where:
Base-Base interactions energy: -40.384
where: short stacking energy: -31.225
Base-Backbone interact. energy: -1.472
local terms energy: -54.470606
where:
bonds (distance) C4'-P energy: -15.230
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -10.779
flat angles P-C4'-P energy: -5.884
tors. eta vs tors. theta energy: -8.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -77.270823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.270823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.270823 (E_RNA)
where:
Base-Base interactions energy: -24.774
where: short stacking energy: -24.774
Base-Backbone interact. energy: -0.049
local terms energy: -52.447727
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -11.651
flat angles P-C4'-P energy: -3.700
tors. eta vs tors. theta energy: -5.948
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: 2
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -234.699026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.699026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.699026 (E_RNA)
where:
Base-Base interactions energy: -155.979
where: short stacking energy: -69.807
Base-Backbone interact. energy: -0.413
local terms energy: -78.307134
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -14.010
flat angles C4'-P-C4' energy: -17.542
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -20.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -230.677539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.677539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.677539 (E_RNA)
where:
Base-Base interactions energy: -152.965
where: short stacking energy: -77.157
Base-Backbone interact. energy: -0.034
local terms energy: -77.678060
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -12.357
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -13.473
tors. eta vs tors. theta energy: -20.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -220.908809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.908809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.908809 (E_RNA)
where:
Base-Base interactions energy: -149.453
where: short stacking energy: -69.220
Base-Backbone interact. energy: -0.004
local terms energy: -71.451660
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -18.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -208.316330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.316330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.316330 (E_RNA)
where:
Base-Base interactions energy: -134.989
where: short stacking energy: -68.566
Base-Backbone interact. energy: -0.198
local terms energy: -73.128630
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -15.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -200.390110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.390110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.390110 (E_RNA)
where:
Base-Base interactions energy: -139.793
where: short stacking energy: -61.105
Base-Backbone interact. energy: -0.112
local terms energy: -60.485401
where:
bonds (distance) C4'-P energy: -11.111
bonds (distance) P-C4' energy: -10.078
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -15.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -174.997988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.997988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.997988 (E_RNA)
where:
Base-Base interactions energy: -117.973
where: short stacking energy: -52.220
Base-Backbone interact. energy: -0.085
local terms energy: -56.939957
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -3.841
tors. eta vs tors. theta energy: -13.271
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: 5
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -159.723131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.723131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.723131 (E_RNA)
where:
Base-Base interactions energy: -103.943
where: short stacking energy: -50.373
Base-Backbone interact. energy: -0.109
local terms energy: -55.671332
where:
bonds (distance) C4'-P energy: -11.324
bonds (distance) P-C4' energy: -11.744
flat angles C4'-P-C4' energy: -13.571
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -10.095
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: 9
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -79.869833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.869833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.869833 (E_RNA)
where:
Base-Base interactions energy: -31.429
where: short stacking energy: -22.892
Base-Backbone interact. energy: -0.193
local terms energy: -48.247328
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -12.531
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -9.491
tors. eta vs tors. theta energy: 2.091
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: 1
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -79.089917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.089917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.089917 (E_RNA)
where:
Base-Base interactions energy: -34.437
where: short stacking energy: -27.378
Base-Backbone interact. energy: -0.571
local terms energy: -44.081498
where:
bonds (distance) C4'-P energy: -12.945
bonds (distance) P-C4' energy: -11.205
flat angles C4'-P-C4' energy: -12.504
flat angles P-C4'-P energy: -5.081
tors. eta vs tors. theta energy: -2.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -75.623807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.623807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.623807 (E_RNA)
where:
Base-Base interactions energy: -30.073
where: short stacking energy: -20.127
Base-Backbone interact. energy: -0.288
local terms energy: -45.262397
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -10.224
flat angles P-C4'-P energy: -8.293
tors. eta vs tors. theta energy: 1.307
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: 6
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -231.716696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.716696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.716696 (E_RNA)
where:
Base-Base interactions energy: -152.210
where: short stacking energy: -71.053
Base-Backbone interact. energy: -0.007
local terms energy: -79.499806
where:
bonds (distance) C4'-P energy: -17.211
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -19.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -222.965250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.965250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.965250 (E_RNA)
where:
Base-Base interactions energy: -143.895
where: short stacking energy: -75.056
Base-Backbone interact. energy: -0.186
local terms energy: -78.884693
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -12.365
flat angles C4'-P-C4' energy: -17.108
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: -23.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -218.980826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.980826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.980826 (E_RNA)
where:
Base-Base interactions energy: -148.908
where: short stacking energy: -72.140
Base-Backbone interact. energy: -0.374
local terms energy: -69.699546
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -6.984
tors. eta vs tors. theta energy: -22.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -213.498322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.498322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.498322 (E_RNA)
where:
Base-Base interactions energy: -142.042
where: short stacking energy: -65.763
Base-Backbone interact. energy: -0.354
local terms energy: -71.102878
where:
bonds (distance) C4'-P energy: -10.942
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -17.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -216.881144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.881144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.881144 (E_RNA)
where:
Base-Base interactions energy: -150.967
where: short stacking energy: -67.584
Base-Backbone interact. energy: -0.001
local terms energy: -65.913644
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -11.429
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -4.931
tors. eta vs tors. theta energy: -19.640
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: 8
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -211.433928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.433928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.433928 (E_RNA)
where:
Base-Base interactions energy: -132.813
where: short stacking energy: -65.184
Base-Backbone interact. energy: -0.498
local terms energy: -78.122871
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -20.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -158.369157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.369157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.369157 (E_RNA)
where:
Base-Base interactions energy: -101.140
where: short stacking energy: -50.376
Base-Backbone interact. energy: -0.163
local terms energy: -57.066963
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -12.702
flat angles C4'-P-C4' energy: -11.951
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -11.035
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: 426
Temperature: 1.250000
Total energy: -94.133208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.133208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.133208 (E_RNA)
where:
Base-Base interactions energy: -38.658
where: short stacking energy: -34.508
Base-Backbone interact. energy: -0.097
local terms energy: -55.378582
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -4.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -89.124689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.124689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.124689 (E_RNA)
where:
Base-Base interactions energy: -35.767
where: short stacking energy: -35.145
Base-Backbone interact. energy: 0.465
local terms energy: -53.822778
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -7.913
tors. eta vs tors. theta energy: -6.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -75.984111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.984111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.984111 (E_RNA)
where:
Base-Base interactions energy: -29.866
where: short stacking energy: -18.746
Base-Backbone interact. energy: -0.188
local terms energy: -45.930670
where:
bonds (distance) C4'-P energy: -10.066
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -7.382
flat angles P-C4'-P energy: -10.467
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: 6
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -231.846562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.846562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.846562 (E_RNA)
where:
Base-Base interactions energy: -150.104
where: short stacking energy: -72.763
Base-Backbone interact. energy: -0.000
local terms energy: -81.742248
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -13.801
tors. eta vs tors. theta energy: -22.687
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: 2, replica: 10
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -211.416016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.416016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.416016 (E_RNA)
where:
Base-Base interactions energy: -138.599
where: short stacking energy: -60.142
Base-Backbone interact. energy: -0.618
local terms energy: -72.199714
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -15.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -218.945876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.945876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.945876 (E_RNA)
where:
Base-Base interactions energy: -144.262
where: short stacking energy: -69.226
Base-Backbone interact. energy: -0.097
local terms energy: -74.587116
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -20.469
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: 3
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -219.206078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.206078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.206078 (E_RNA)
where:
Base-Base interactions energy: -142.814
where: short stacking energy: -70.314
Base-Backbone interact. energy: -0.523
local terms energy: -75.869718
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -16.440
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -20.540
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: 7
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -186.388269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.388269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.388269 (E_RNA)
where:
Base-Base interactions energy: -116.106
where: short stacking energy: -55.779
Base-Backbone interact. energy: -0.008
local terms energy: -70.273964
where:
bonds (distance) C4'-P energy: -12.313
bonds (distance) P-C4' energy: -17.875
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -13.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -202.837435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.837435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.837435 (E_RNA)
where:
Base-Base interactions energy: -130.408
where: short stacking energy: -62.571
Base-Backbone interact. energy: -0.260
local terms energy: -72.169659
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -16.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -140.386276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.386276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.386276 (E_RNA)
where:
Base-Base interactions energy: -88.018
where: short stacking energy: -36.732
Base-Backbone interact. energy: -0.140
local terms energy: -52.228694
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -11.464
flat angles P-C4'-P energy: -5.909
tors. eta vs tors. theta energy: -3.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -78.960854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.960854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.960854 (E_RNA)
where:
Base-Base interactions energy: -32.600
where: short stacking energy: -31.225
Base-Backbone interact. energy: -0.198
local terms energy: -46.162703
where:
bonds (distance) C4'-P energy: -10.912
bonds (distance) P-C4' energy: -10.508
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: -3.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -85.328902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.328902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.328902 (E_RNA)
where:
Base-Base interactions energy: -49.408
where: short stacking energy: -31.943
Base-Backbone interact. energy: -0.001
local terms energy: -35.920228
where:
bonds (distance) C4'-P energy: -8.953
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -8.835
flat angles P-C4'-P energy: -4.548
tors. eta vs tors. theta energy: -0.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -76.041774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.041774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.041774 (E_RNA)
where:
Base-Base interactions energy: -26.838
where: short stacking energy: -25.219
Base-Backbone interact. energy: -0.241
local terms energy: -48.962380
where:
bonds (distance) C4'-P energy: -9.176
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -11.788
flat angles P-C4'-P energy: -6.017
tors. eta vs tors. theta energy: -4.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -232.635327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.635327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.635327 (E_RNA)
where:
Base-Base interactions energy: -155.317
where: short stacking energy: -76.489
Base-Backbone interact. energy: -0.002
local terms energy: -77.316742
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -15.390
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -13.449
tors. eta vs tors. theta energy: -19.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -213.278573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.278573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.278573 (E_RNA)
where:
Base-Base interactions energy: -142.226
where: short stacking energy: -71.167
Base-Backbone interact. energy: -0.070
local terms energy: -70.982596
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -14.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -221.191470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.191470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.191470 (E_RNA)
where:
Base-Base interactions energy: -142.742
where: short stacking energy: -67.686
Base-Backbone interact. energy: -0.628
local terms energy: -77.820920
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -14.095
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -19.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -225.233568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.233568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.233568 (E_RNA)
where:
Base-Base interactions energy: -141.306
where: short stacking energy: -71.758
Base-Backbone interact. energy: -0.264
local terms energy: -83.662910
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -18.448
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -12.949
tors. eta vs tors. theta energy: -22.030
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: 428
Temperature: 1.100000
Total energy: -219.211882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.211882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.211882 (E_RNA)
where:
Base-Base interactions energy: -142.162
where: short stacking energy: -71.251
Base-Backbone interact. energy: -0.313
local terms energy: -76.736993
where:
bonds (distance) C4'-P energy: -10.480
bonds (distance) P-C4' energy: -15.348
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -22.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -195.897052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.897052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.897052 (E_RNA)
where:
Base-Base interactions energy: -128.716
where: short stacking energy: -60.525
Base-Backbone interact. energy: -0.560
local terms energy: -66.620717
where:
bonds (distance) C4'-P energy: -6.905
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -11.067
tors. eta vs tors. theta energy: -16.844
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: 5
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -155.516132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.516132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.516132 (E_RNA)
where:
Base-Base interactions energy: -98.653
where: short stacking energy: -42.574
Base-Backbone interact. energy: -0.280
local terms energy: -56.582826
where:
bonds (distance) C4'-P energy: -13.090
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -12.393
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: -7.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -88.941966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.941966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.941966 (E_RNA)
where:
Base-Base interactions energy: -33.251
where: short stacking energy: -33.251
Base-Backbone interact. energy: -0.067
local terms energy: -55.623222
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -7.572
tors. eta vs tors. theta energy: -5.155
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: 9, replica: 4
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -81.940556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.940556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.940556 (E_RNA)
where:
Base-Base interactions energy: -30.169
where: short stacking energy: -14.847
Base-Backbone interact. energy: -1.246
local terms energy: -50.525437
where:
bonds (distance) C4'-P energy: -11.043
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -1.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -70.885685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.885685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.885685 (E_RNA)
where:
Base-Base interactions energy: -31.271
where: short stacking energy: -21.701
Base-Backbone interact. energy: 0.188
local terms energy: -39.802459
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -13.284
flat angles C4'-P-C4' energy: -3.706
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: 1.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -237.360098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.360098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.360098 (E_RNA)
where:
Base-Base interactions energy: -161.402
where: short stacking energy: -74.730
Base-Backbone interact. energy: -0.003
local terms energy: -75.955950
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: -21.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -217.130932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.130932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.130932 (E_RNA)
where:
Base-Base interactions energy: -142.826
where: short stacking energy: -67.183
Base-Backbone interact. energy: -0.100
local terms energy: -74.205043
where:
bonds (distance) C4'-P energy: -11.042
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -21.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -222.347295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.347295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.347295 (E_RNA)
where:
Base-Base interactions energy: -145.909
where: short stacking energy: -65.389
Base-Backbone interact. energy: -0.644
local terms energy: -75.793442
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: -17.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -215.964272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.964272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.964272 (E_RNA)
where:
Base-Base interactions energy: -138.234
where: short stacking energy: -70.209
Base-Backbone interact. energy: -0.089
local terms energy: -77.641272
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -18.655
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -7.786
tors. eta vs tors. theta energy: -21.862
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: 429
Temperature: 1.100000
Total energy: -210.742645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.742645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.742645 (E_RNA)
where:
Base-Base interactions energy: -134.265
where: short stacking energy: -65.525
Base-Backbone interact. energy: 0.962
local terms energy: -77.440419
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -14.090
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -11.240
tors. eta vs tors. theta energy: -19.889
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: 5
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -173.870546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.870546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.870546 (E_RNA)
where:
Base-Base interactions energy: -109.766
where: short stacking energy: -50.518
Base-Backbone interact. energy: -0.630
local terms energy: -63.474530
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -12.314
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -11.925
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: 7, replica: 7
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -197.517659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.517659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.517659 (E_RNA)
where:
Base-Base interactions energy: -123.964
where: short stacking energy: -55.178
Base-Backbone interact. energy: -0.050
local terms energy: -73.503613
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -16.571
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: 4
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -104.174089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.174089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.174089 (E_RNA)
where:
Base-Base interactions energy: -61.504
where: short stacking energy: -29.102
Base-Backbone interact. energy: -0.193
local terms energy: -42.476265
where:
bonds (distance) C4'-P energy: -11.018
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -7.843
flat angles P-C4'-P energy: -6.564
tors. eta vs tors. theta energy: -3.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -91.151536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.151536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.151536 (E_RNA)
where:
Base-Base interactions energy: -37.408
where: short stacking energy: -37.408
Base-Backbone interact. energy: 0.264
local terms energy: -54.007472
where:
bonds (distance) C4'-P energy: -10.890
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -4.198
tors. eta vs tors. theta energy: -8.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -80.030983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.030983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.030983 (E_RNA)
where:
Base-Base interactions energy: -37.250
where: short stacking energy: -28.089
Base-Backbone interact. energy: -0.200
local terms energy: -42.581035
where:
bonds (distance) C4'-P energy: -9.678
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -9.097
flat angles P-C4'-P energy: -8.373
tors. eta vs tors. theta energy: 1.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -225.628295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.628295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.628295 (E_RNA)
where:
Base-Base interactions energy: -147.040
where: short stacking energy: -68.171
Base-Backbone interact. energy: -0.286
local terms energy: -78.301716
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -22.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -231.095755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.095755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.095755 (E_RNA)
where:
Base-Base interactions energy: -153.301
where: short stacking energy: -69.657
Base-Backbone interact. energy: -0.011
local terms energy: -77.783437
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -20.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -227.135958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.135958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.135958 (E_RNA)
where:
Base-Base interactions energy: -147.835
where: short stacking energy: -67.610
Base-Backbone interact. energy: -0.006
local terms energy: -79.295267
where:
bonds (distance) C4'-P energy: -17.800
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -12.331
tors. eta vs tors. theta energy: -19.891
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: 10
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -214.877338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.877338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.877338 (E_RNA)
where:
Base-Base interactions energy: -146.400
where: short stacking energy: -61.377
Base-Backbone interact. energy: -0.696
local terms energy: -67.781487
where:
bonds (distance) C4'-P energy: -13.426
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -14.376
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -14.182
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: 3
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -210.179370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.179370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.179370 (E_RNA)
where:
Base-Base interactions energy: -139.952
where: short stacking energy: -64.277
Base-Backbone interact. energy: -0.028
local terms energy: -70.199403
where:
bonds (distance) C4'-P energy: -11.092
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -13.626
tors. eta vs tors. theta energy: -16.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -179.263264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.263264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.263264 (E_RNA)
where:
Base-Base interactions energy: -105.617
where: short stacking energy: -52.137
Base-Backbone interact. energy: -0.011
local terms energy: -73.635261
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -16.298
flat angles P-C4'-P energy: -12.110
tors. eta vs tors. theta energy: -14.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -186.215598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.215598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.215598 (E_RNA)
where:
Base-Base interactions energy: -122.626
where: short stacking energy: -59.987
Base-Backbone interact. energy: -0.001
local terms energy: -63.588709
where:
bonds (distance) C4'-P energy: -6.679
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -13.022
flat angles P-C4'-P energy: -14.276
tors. eta vs tors. theta energy: -18.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -111.050893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.050893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.050893 (E_RNA)
where:
Base-Base interactions energy: -62.626
where: short stacking energy: -22.091
Base-Backbone interact. energy: -0.341
local terms energy: -48.083112
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -10.906
flat angles P-C4'-P energy: -5.970
tors. eta vs tors. theta energy: -2.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -76.411331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.411331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.411331 (E_RNA)
where:
Base-Base interactions energy: -29.030
where: short stacking energy: -28.956
Base-Backbone interact. energy: -0.025
local terms energy: -47.355748
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -12.632
flat angles C4'-P-C4' energy: -9.553
flat angles P-C4'-P energy: -5.983
tors. eta vs tors. theta energy: -7.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -78.838269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.838269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.838269 (E_RNA)
where:
Base-Base interactions energy: -34.363
where: short stacking energy: -25.747
Base-Backbone interact. energy: 0.957
local terms energy: -45.431793
where:
bonds (distance) C4'-P energy: -8.372
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -0.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -229.354683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.354683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.354683 (E_RNA)
where:
Base-Base interactions energy: -152.894
where: short stacking energy: -74.426
Base-Backbone interact. energy: -0.811
local terms energy: -75.649841
where:
bonds (distance) C4'-P energy: -12.673
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -16.987
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -22.979
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: 8
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -226.671834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.671834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.671834 (E_RNA)
where:
Base-Base interactions energy: -150.588
where: short stacking energy: -73.155
Base-Backbone interact. energy: -0.000
local terms energy: -76.083541
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: -18.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -228.105746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.105746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.105746 (E_RNA)
where:
Base-Base interactions energy: -147.612
where: short stacking energy: -69.763
Base-Backbone interact. energy: -1.001
local terms energy: -79.493216
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -12.978
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -12.889
tors. eta vs tors. theta energy: -23.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -208.046519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.046519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.046519 (E_RNA)
where:
Base-Base interactions energy: -128.560
where: short stacking energy: -61.972
Base-Backbone interact. energy: -0.404
local terms energy: -79.082647
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -16.816
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -19.844
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: 3
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -212.837976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.837976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.837976 (E_RNA)
where:
Base-Base interactions energy: -140.814
where: short stacking energy: -70.202
Base-Backbone interact. energy: -0.660
local terms energy: -71.363541
where:
bonds (distance) C4'-P energy: -11.823
bonds (distance) P-C4' energy: -12.056
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -21.284
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: 7
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -187.121451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.121451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.121451 (E_RNA)
where:
Base-Base interactions energy: -125.492
where: short stacking energy: -60.354
Base-Backbone interact. energy: -0.423
local terms energy: -61.205881
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -10.956
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -13.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -170.586501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.586501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.586501 (E_RNA)
where:
Base-Base interactions energy: -108.669
where: short stacking energy: -48.155
Base-Backbone interact. energy: -0.461
local terms energy: -61.455813
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -17.635
flat angles C4'-P-C4' energy: -11.578
flat angles P-C4'-P energy: -4.253
tors. eta vs tors. theta energy: -10.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -120.661234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.661234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.661234 (E_RNA)
where:
Base-Base interactions energy: -71.884
where: short stacking energy: -31.668
Base-Backbone interact. energy: 0.042
local terms energy: -48.819863
where:
bonds (distance) C4'-P energy: -9.847
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -13.468
flat angles P-C4'-P energy: -6.598
tors. eta vs tors. theta energy: -2.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -75.849006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.849006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.849006 (E_RNA)
where:
Base-Base interactions energy: -31.072
where: short stacking energy: -27.577
Base-Backbone interact. energy: 0.824
local terms energy: -45.600783
where:
bonds (distance) C4'-P energy: -7.859
bonds (distance) P-C4' energy: -16.820
flat angles C4'-P-C4' energy: -10.573
flat angles P-C4'-P energy: -3.611
tors. eta vs tors. theta energy: -6.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -76.314111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.314111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.314111 (E_RNA)
where:
Base-Base interactions energy: -27.782
where: short stacking energy: -27.782
Base-Backbone interact. energy: -0.003
local terms energy: -48.528884
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -10.456
flat angles P-C4'-P energy: -6.318
tors. eta vs tors. theta energy: -4.104
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: 8
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -231.264708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.264708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.264708 (E_RNA)
where:
Base-Base interactions energy: -149.578
where: short stacking energy: -76.065
Base-Backbone interact. energy: -0.000
local terms energy: -81.686497
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -15.624
flat angles P-C4'-P energy: -12.668
tors. eta vs tors. theta energy: -21.504
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: 2
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -226.654077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.654077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.654077 (E_RNA)
where:
Base-Base interactions energy: -149.308
where: short stacking energy: -69.468
Base-Backbone interact. energy: -0.038
local terms energy: -77.308785
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -17.791
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -21.710
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: 6
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -216.743257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.743257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.743257 (E_RNA)
where:
Base-Base interactions energy: -147.816
where: short stacking energy: -67.212
Base-Backbone interact. energy: -0.027
local terms energy: -68.900455
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -11.825
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: -18.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -225.671308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.671308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.671308 (E_RNA)
where:
Base-Base interactions energy: -150.902
where: short stacking energy: -76.098
Base-Backbone interact. energy: -0.043
local terms energy: -74.725734
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -8.460
tors. eta vs tors. theta energy: -21.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -214.829914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.829914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.829914 (E_RNA)
where:
Base-Base interactions energy: -137.337
where: short stacking energy: -70.820
Base-Backbone interact. energy: -0.041
local terms energy: -77.452022
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -18.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -205.025022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.025022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.025022 (E_RNA)
where:
Base-Base interactions energy: -132.783
where: short stacking energy: -67.044
Base-Backbone interact. energy: -0.101
local terms energy: -72.140906
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -6.047
tors. eta vs tors. theta energy: -16.269
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: 5
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -155.961946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.961946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.961946 (E_RNA)
where:
Base-Base interactions energy: -89.093
where: short stacking energy: -45.974
Base-Backbone interact. energy: -0.623
local terms energy: -66.246304
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -10.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -151.415503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.415503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.415503 (E_RNA)
where:
Base-Base interactions energy: -99.894
where: short stacking energy: -44.583
Base-Backbone interact. energy: -0.237
local terms energy: -51.283868
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -9.434
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -7.690
tors. eta vs tors. theta energy: -8.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -79.157197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.157197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.157197 (E_RNA)
where:
Base-Base interactions energy: -25.329
where: short stacking energy: -21.573
Base-Backbone interact. energy: 0.901
local terms energy: -54.728616
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -3.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -74.364707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.364707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.364707 (E_RNA)
where:
Base-Base interactions energy: -24.384
where: short stacking energy: -19.938
Base-Backbone interact. energy: -0.319
local terms energy: -49.661077
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -12.994
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -2.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -230.332444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.332444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.332444 (E_RNA)
where:
Base-Base interactions energy: -147.216
where: short stacking energy: -71.835
Base-Backbone interact. energy: -0.001
local terms energy: -83.114509
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -15.505
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -14.867
tors. eta vs tors. theta energy: -20.929
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: 2, replica: 6
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -220.625296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.625296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.625296 (E_RNA)
where:
Base-Base interactions energy: -144.287
where: short stacking energy: -70.536
Base-Backbone interact. energy: -0.002
local terms energy: -76.336091
where:
bonds (distance) C4'-P energy: -17.324
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -8.544
tors. eta vs tors. theta energy: -20.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -219.966611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.966611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.966611 (E_RNA)
where:
Base-Base interactions energy: -141.008
where: short stacking energy: -72.531
Base-Backbone interact. energy: -0.027
local terms energy: -78.931084
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -13.164
tors. eta vs tors. theta energy: -22.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -202.255875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.255875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.255875 (E_RNA)
where:
Base-Base interactions energy: -127.056
where: short stacking energy: -64.166
Base-Backbone interact. energy: -0.006
local terms energy: -75.193913
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -19.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -207.863176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.863176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.863176 (E_RNA)
where:
Base-Base interactions energy: -134.225
where: short stacking energy: -64.890
Base-Backbone interact. energy: -0.020
local terms energy: -73.617264
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -10.849
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -20.626
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: 433
Temperature: 1.150000
Total energy: -186.666537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.666537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.666537 (E_RNA)
where:
Base-Base interactions energy: -131.554
where: short stacking energy: -60.939
Base-Backbone interact. energy: -0.181
local terms energy: -54.931590
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -11.465
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -4.745
tors. eta vs tors. theta energy: -13.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -153.063951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.063951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.063951 (E_RNA)
where:
Base-Base interactions energy: -91.888
where: short stacking energy: -39.848
Base-Backbone interact. energy: -0.038
local terms energy: -61.138093
where:
bonds (distance) C4'-P energy: -10.955
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -10.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -162.024197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.024197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.024197 (E_RNA)
where:
Base-Base interactions energy: -101.138
where: short stacking energy: -44.124
Base-Backbone interact. energy: -0.430
local terms energy: -60.456242
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -11.614
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -12.350
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: 1
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -86.806154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.806154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.806154 (E_RNA)
where:
Base-Base interactions energy: -38.039
where: short stacking energy: -24.558
Base-Backbone interact. energy: -0.009
local terms energy: -48.758758
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -12.704
flat angles C4'-P-C4' energy: -9.477
flat angles P-C4'-P energy: -4.321
tors. eta vs tors. theta energy: -7.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -72.292769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.292769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.292769 (E_RNA)
where:
Base-Base interactions energy: -29.719
where: short stacking energy: -28.589
Base-Backbone interact. energy: -0.330
local terms energy: -42.243156
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -1.981
flat angles P-C4'-P energy: -3.121
tors. eta vs tors. theta energy: -6.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -233.973325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.973325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.973325 (E_RNA)
where:
Base-Base interactions energy: -152.202
where: short stacking energy: -81.730
Base-Backbone interact. energy: -0.011
local terms energy: -81.760647
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -18.243
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -20.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -231.566430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.566430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.566430 (E_RNA)
where:
Base-Base interactions energy: -151.158
where: short stacking energy: -76.641
Base-Backbone interact. energy: -0.165
local terms energy: -80.243047
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -13.418
tors. eta vs tors. theta energy: -18.103
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: 7
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -209.719277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.719277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.719277 (E_RNA)
where:
Base-Base interactions energy: -137.604
where: short stacking energy: -64.272
Base-Backbone interact. energy: -0.686
local terms energy: -71.428822
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -10.125
tors. eta vs tors. theta energy: -16.099
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: 2
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -221.462921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.462921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.462921 (E_RNA)
where:
Base-Base interactions energy: -143.407
where: short stacking energy: -70.065
Base-Backbone interact. energy: -0.583
local terms energy: -77.472622
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -13.810
flat angles C4'-P-C4' energy: -16.889
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -22.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -203.791340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.791340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.791340 (E_RNA)
where:
Base-Base interactions energy: -133.178
where: short stacking energy: -62.692
Base-Backbone interact. energy: -0.012
local terms energy: -70.601336
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -11.564
tors. eta vs tors. theta energy: -16.659
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: 6, replica: 10
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -204.840198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.840198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.840198 (E_RNA)
where:
Base-Base interactions energy: -141.720
where: short stacking energy: -65.304
Base-Backbone interact. energy: -0.302
local terms energy: -62.818078
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -9.820
flat angles C4'-P-C4' energy: -13.422
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -18.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -156.226926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.226926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.226926 (E_RNA)
where:
Base-Base interactions energy: -93.893
where: short stacking energy: -55.063
Base-Backbone interact. energy: 0.338
local terms energy: -62.671758
where:
bonds (distance) C4'-P energy: -8.291
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -15.163
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: 5
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -146.472935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.472935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.472935 (E_RNA)
where:
Base-Base interactions energy: -88.261
where: short stacking energy: -42.947
Base-Backbone interact. energy: -0.985
local terms energy: -57.226857
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -14.140
flat angles C4'-P-C4' energy: -9.810
flat angles P-C4'-P energy: -8.329
tors. eta vs tors. theta energy: -9.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -81.777884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.777884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.777884 (E_RNA)
where:
Base-Base interactions energy: -29.490
where: short stacking energy: -29.490
Base-Backbone interact. energy: -0.616
local terms energy: -51.671371
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -10.510
flat angles P-C4'-P energy: -4.807
tors. eta vs tors. theta energy: -7.028
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: 10, replica: 1
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -71.824428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.824428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.824428 (E_RNA)
where:
Base-Base interactions energy: -22.705
where: short stacking energy: -18.694
Base-Backbone interact. energy: 0.160
local terms energy: -49.279338
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -8.395
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: 6
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -235.338296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.338296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.338296 (E_RNA)
where:
Base-Base interactions energy: -154.560
where: short stacking energy: -77.545
Base-Backbone interact. energy: -0.137
local terms energy: -80.641144
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -22.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -220.682527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.682527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.682527 (E_RNA)
where:
Base-Base interactions energy: -144.736
where: short stacking energy: -74.013
Base-Backbone interact. energy: -0.138
local terms energy: -75.809457
where:
bonds (distance) C4'-P energy: -13.557
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -20.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -207.030853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.030853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.030853 (E_RNA)
where:
Base-Base interactions energy: -134.126
where: short stacking energy: -68.076
Base-Backbone interact. energy: -0.385
local terms energy: -72.519792
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -12.815
tors. eta vs tors. theta energy: -15.153
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: 2
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -217.561108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.561108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.561108 (E_RNA)
where:
Base-Base interactions energy: -141.797
where: short stacking energy: -71.338
Base-Backbone interact. energy: -0.025
local terms energy: -75.739245
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -18.189
flat angles P-C4'-P energy: -8.274
tors. eta vs tors. theta energy: -21.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -212.655922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.655922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.655922 (E_RNA)
where:
Base-Base interactions energy: -134.427
where: short stacking energy: -64.301
Base-Backbone interact. energy: -0.004
local terms energy: -78.224926
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -20.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -171.214322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.214322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.214322 (E_RNA)
where:
Base-Base interactions energy: -104.501
where: short stacking energy: -51.770
Base-Backbone interact. energy: -0.642
local terms energy: -66.071249
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -11.483
flat angles C4'-P-C4' energy: -17.939
flat angles P-C4'-P energy: -7.029
tors. eta vs tors. theta energy: -15.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -195.620962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.620962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.620962 (E_RNA)
where:
Base-Base interactions energy: -123.449
where: short stacking energy: -54.910
Base-Backbone interact. energy: -0.037
local terms energy: -72.134565
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -12.193
tors. eta vs tors. theta energy: -15.693
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: 5
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -151.673620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.673620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.673620 (E_RNA)
where:
Base-Base interactions energy: -96.684
where: short stacking energy: -40.990
Base-Backbone interact. energy: -0.460
local terms energy: -54.528815
where:
bonds (distance) C4'-P energy: -10.861
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -11.910
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -9.350
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: 4
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -93.362969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.362969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.362969 (E_RNA)
where:
Base-Base interactions energy: -37.526
where: short stacking energy: -36.845
Base-Backbone interact. energy: -0.138
local terms energy: -55.698234
where:
bonds (distance) C4'-P energy: -10.409
bonds (distance) P-C4' energy: -15.175
flat angles C4'-P-C4' energy: -10.277
flat angles P-C4'-P energy: -7.408
tors. eta vs tors. theta energy: -12.429
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: 1
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -89.501669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.501669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.501669 (E_RNA)
where:
Base-Base interactions energy: -33.702
where: short stacking energy: -33.702
Base-Backbone interact. energy: -0.155
local terms energy: -55.644601
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -8.726
flat angles C4'-P-C4' energy: -15.998
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: -4.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -230.803792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.803792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.803792 (E_RNA)
where:
Base-Base interactions energy: -152.265
where: short stacking energy: -74.553
Base-Backbone interact. energy: -0.301
local terms energy: -78.237628
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -13.098
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -22.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -230.461975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.461975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.461975 (E_RNA)
where:
Base-Base interactions energy: -151.413
where: short stacking energy: -72.514
Base-Backbone interact. energy: -0.002
local terms energy: -79.047636
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: -21.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -201.569716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.569716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.569716 (E_RNA)
where:
Base-Base interactions energy: -131.088
where: short stacking energy: -55.059
Base-Backbone interact. energy: -0.890
local terms energy: -69.592428
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -12.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -196.127085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.127085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.127085 (E_RNA)
where:
Base-Base interactions energy: -125.233
where: short stacking energy: -50.628
Base-Backbone interact. energy: -0.690
local terms energy: -70.204087
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -16.316
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -7.726
tors. eta vs tors. theta energy: -16.564
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: 9
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -163.694491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.694491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.694491 (E_RNA)
where:
Base-Base interactions energy: -99.578
where: short stacking energy: -51.785
Base-Backbone interact. energy: -0.019
local terms energy: -64.097355
where:
bonds (distance) C4'-P energy: -13.293
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -14.842
flat angles P-C4'-P energy: -7.025
tors. eta vs tors. theta energy: -12.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -197.498567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.498567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.498567 (E_RNA)
where:
Base-Base interactions energy: -137.074
where: short stacking energy: -54.093
Base-Backbone interact. energy: -0.221
local terms energy: -60.203378
where:
bonds (distance) C4'-P energy: -9.792
bonds (distance) P-C4' energy: -13.168
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -12.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -197.358203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.358203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.358203 (E_RNA)
where:
Base-Base interactions energy: -140.605
where: short stacking energy: -60.084
Base-Backbone interact. energy: -0.105
local terms energy: -56.648066
where:
bonds (distance) C4'-P energy: -8.748
bonds (distance) P-C4' energy: -15.387
flat angles C4'-P-C4' energy: -10.301
flat angles P-C4'-P energy: -6.710
tors. eta vs tors. theta energy: -15.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -87.504444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.504444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.504444 (E_RNA)
where:
Base-Base interactions energy: -44.878
where: short stacking energy: -24.030
Base-Backbone interact. energy: -0.143
local terms energy: -42.482622
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -10.556
flat angles P-C4'-P energy: -1.899
tors. eta vs tors. theta energy: -0.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -92.527099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.527099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.527099 (E_RNA)
where:
Base-Base interactions energy: -38.534
where: short stacking energy: -37.839
Base-Backbone interact. energy: -0.194
local terms energy: -53.799664
where:
bonds (distance) C4'-P energy: -10.123
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -8.293
tors. eta vs tors. theta energy: -5.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -76.896396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.896396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.896396 (E_RNA)
where:
Base-Base interactions energy: -36.199
where: short stacking energy: -21.854
Base-Backbone interact. energy: -0.427
local terms energy: -40.270499
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: 2.028
tors. eta vs tors. theta energy: 0.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -227.513317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.513317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.513317 (E_RNA)
where:
Base-Base interactions energy: -148.833
where: short stacking energy: -70.281
Base-Backbone interact. energy: -0.005
local terms energy: -78.675541
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -11.719
tors. eta vs tors. theta energy: -22.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -230.542774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.542774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.542774 (E_RNA)
where:
Base-Base interactions energy: -151.406
where: short stacking energy: -73.199
Base-Backbone interact. energy: -0.404
local terms energy: -78.733005
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -17.852
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -19.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -200.059193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.059193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.059193 (E_RNA)
where:
Base-Base interactions energy: -128.932
where: short stacking energy: -55.078
Base-Backbone interact. energy: -0.335
local terms energy: -70.792192
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -17.090
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -16.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -197.181487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.181487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.181487 (E_RNA)
where:
Base-Base interactions energy: -131.385
where: short stacking energy: -64.985
Base-Backbone interact. energy: -0.031
local terms energy: -65.765435
where:
bonds (distance) C4'-P energy: -7.166
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -13.164
tors. eta vs tors. theta energy: -16.406
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: 9
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -172.526536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.526536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.526536 (E_RNA)
where:
Base-Base interactions energy: -112.047
where: short stacking energy: -57.877
Base-Backbone interact. energy: -0.243
local terms energy: -60.236795
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -12.482
flat angles C4'-P-C4' energy: -13.514
flat angles P-C4'-P energy: -10.955
tors. eta vs tors. theta energy: -11.157
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: 10
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -206.319047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.319047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.319047 (E_RNA)
where:
Base-Base interactions energy: -129.649
where: short stacking energy: -65.279
Base-Backbone interact. energy: -1.145
local terms energy: -75.525112
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -17.759
flat angles P-C4'-P energy: -12.542
tors. eta vs tors. theta energy: -16.147
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: 437
Temperature: 1.200000
Total energy: -184.287685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.287685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.287685 (E_RNA)
where:
Base-Base interactions energy: -109.584
where: short stacking energy: -51.641
Base-Backbone interact. energy: -0.257
local terms energy: -74.445770
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -18.458
flat angles C4'-P-C4' energy: -17.243
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -13.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -79.796189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.796189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.796189 (E_RNA)
where:
Base-Base interactions energy: -25.155
where: short stacking energy: -25.155
Base-Backbone interact. energy: -0.191
local terms energy: -54.450426
where:
bonds (distance) C4'-P energy: -16.470
bonds (distance) P-C4' energy: -12.612
flat angles C4'-P-C4' energy: -12.882
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -0.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -95.512403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.512403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.512403 (E_RNA)
where:
Base-Base interactions energy: -40.745
where: short stacking energy: -34.214
Base-Backbone interact. energy: -0.076
local terms energy: -54.690948
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -3.824
tors. eta vs tors. theta energy: -3.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -84.164359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.164359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.164359 (E_RNA)
where:
Base-Base interactions energy: -30.719
where: short stacking energy: -30.719
Base-Backbone interact. energy: -0.746
local terms energy: -52.698911
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -9.055
flat angles P-C4'-P energy: -7.262
tors. eta vs tors. theta energy: -6.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -240.118910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.118910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.118910 (E_RNA)
where:
Base-Base interactions energy: -158.692
where: short stacking energy: -74.399
Base-Backbone interact. energy: -0.011
local terms energy: -81.416349
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -18.025
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -20.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -231.564830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.564830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.564830 (E_RNA)
where:
Base-Base interactions energy: -149.847
where: short stacking energy: -74.219
Base-Backbone interact. energy: -1.169
local terms energy: -80.549376
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -20.417
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: 7
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -209.611533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.611533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.611533 (E_RNA)
where:
Base-Base interactions energy: -140.223
where: short stacking energy: -60.479
Base-Backbone interact. energy: -0.003
local terms energy: -69.386077
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -15.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -210.737066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.737066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.737066 (E_RNA)
where:
Base-Base interactions energy: -139.373
where: short stacking energy: -74.075
Base-Backbone interact. energy: 0.393
local terms energy: -71.757190
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -14.108
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -18.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -203.079453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.079453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.079453 (E_RNA)
where:
Base-Base interactions energy: -133.682
where: short stacking energy: -64.169
Base-Backbone interact. energy: -0.893
local terms energy: -68.504010
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -6.290
tors. eta vs tors. theta energy: -20.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -173.705044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.705044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.705044 (E_RNA)
where:
Base-Base interactions energy: -114.252
where: short stacking energy: -56.228
Base-Backbone interact. energy: -0.286
local terms energy: -59.166960
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -10.298
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: -11.261
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: 7, replica: 1
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -92.522108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.522108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.522108 (E_RNA)
where:
Base-Base interactions energy: -41.033
where: short stacking energy: -26.991
Base-Backbone interact. energy: -0.046
local terms energy: -51.442904
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -6.160
tors. eta vs tors. theta energy: -5.996
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: 8, replica: 3
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -196.613450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.613450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.613450 (E_RNA)
where:
Base-Base interactions energy: -127.574
where: short stacking energy: -60.072
Base-Backbone interact. energy: -0.198
local terms energy: -68.841454
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -7.657
tors. eta vs tors. theta energy: -17.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -82.418213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.418213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.418213 (E_RNA)
where:
Base-Base interactions energy: -34.229
where: short stacking energy: -23.472
Base-Backbone interact. energy: -0.118
local terms energy: -48.071934
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -6.186
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -4.971
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: 5
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -77.837643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.837643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.837643 (E_RNA)
where:
Base-Base interactions energy: -26.196
where: short stacking energy: -26.196
Base-Backbone interact. energy: -0.277
local terms energy: -51.363706
where:
bonds (distance) C4'-P energy: -9.001
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -11.113
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -5.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -235.059013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.059013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.059013 (E_RNA)
where:
Base-Base interactions energy: -151.347
where: short stacking energy: -75.925
Base-Backbone interact. energy: -0.000
local terms energy: -83.711455
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -16.295
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -21.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -231.689163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.689163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.689163 (E_RNA)
where:
Base-Base interactions energy: -152.448
where: short stacking energy: -72.651
Base-Backbone interact. energy: -0.172
local terms energy: -79.068358
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -22.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -223.379490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.379490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.379490 (E_RNA)
where:
Base-Base interactions energy: -151.813
where: short stacking energy: -77.634
Base-Backbone interact. energy: -0.014
local terms energy: -71.552452
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -10.686
flat angles C4'-P-C4' energy: -16.909
flat angles P-C4'-P energy: -9.923
tors. eta vs tors. theta energy: -19.291
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: 2
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -217.744937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.744937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.744937 (E_RNA)
where:
Base-Base interactions energy: -143.486
where: short stacking energy: -64.127
Base-Backbone interact. energy: -0.078
local terms energy: -74.180621
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -19.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -204.510819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.510819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.510819 (E_RNA)
where:
Base-Base interactions energy: -134.029
where: short stacking energy: -65.264
Base-Backbone interact. energy: -0.091
local terms energy: -70.391019
where:
bonds (distance) C4'-P energy: -8.908
bonds (distance) P-C4' energy: -17.475
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -18.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -97.969728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.969728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.969728 (E_RNA)
where:
Base-Base interactions energy: -39.349
where: short stacking energy: -28.703
Base-Backbone interact. energy: 0.188
local terms energy: -58.809007
where:
bonds (distance) C4'-P energy: -16.146
bonds (distance) P-C4' energy: -10.032
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -6.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -173.881413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.881413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.881413 (E_RNA)
where:
Base-Base interactions energy: -111.057
where: short stacking energy: -53.465
Base-Backbone interact. energy: -0.187
local terms energy: -62.636628
where:
bonds (distance) C4'-P energy: -13.649
bonds (distance) P-C4' energy: -8.430
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -10.169
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: 8, replica: 3
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -182.452784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.452784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.452784 (E_RNA)
where:
Base-Base interactions energy: -119.839
where: short stacking energy: -54.660
Base-Backbone interact. energy: -0.107
local terms energy: -62.506948
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -12.826
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -6.661
tors. eta vs tors. theta energy: -10.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -96.895168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.895168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.895168 (E_RNA)
where:
Base-Base interactions energy: -39.693
where: short stacking energy: -38.661
Base-Backbone interact. energy: -0.352
local terms energy: -56.850645
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -12.346
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -4.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -76.405570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.405570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.405570 (E_RNA)
where:
Base-Base interactions energy: -33.098
where: short stacking energy: -11.478
Base-Backbone interact. energy: -0.493
local terms energy: -42.814552
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -11.567
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -9.077
tors. eta vs tors. theta energy: 3.074
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: 6
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -231.077480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.077480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.077480 (E_RNA)
where:
Base-Base interactions energy: -158.311
where: short stacking energy: -77.435
Base-Backbone interact. energy: -0.032
local terms energy: -72.734006
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -11.908
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -18.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -230.202878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.202878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.202878 (E_RNA)
where:
Base-Base interactions energy: -154.751
where: short stacking energy: -74.780
Base-Backbone interact. energy: -0.624
local terms energy: -74.827699
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -21.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -223.262936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.262936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.262936 (E_RNA)
where:
Base-Base interactions energy: -143.153
where: short stacking energy: -68.997
Base-Backbone interact. energy: -0.052
local terms energy: -80.057279
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -13.853
tors. eta vs tors. theta energy: -17.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -209.795653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.795653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.795653 (E_RNA)
where:
Base-Base interactions energy: -138.623
where: short stacking energy: -73.654
Base-Backbone interact. energy: -0.452
local terms energy: -70.720783
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -12.906
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -19.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -201.111886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.111886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.111886 (E_RNA)
where:
Base-Base interactions energy: -131.204
where: short stacking energy: -56.669
Base-Backbone interact. energy: -0.457
local terms energy: -69.450481
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -17.240
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: 1
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -105.175170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.175170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.175170 (E_RNA)
where:
Base-Base interactions energy: -49.381
where: short stacking energy: -49.381
Base-Backbone interact. energy: -0.013
local terms energy: -55.781374
where:
bonds (distance) C4'-P energy: -14.333
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -4.619
tors. eta vs tors. theta energy: -6.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -184.747542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.747542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.747542 (E_RNA)
where:
Base-Base interactions energy: -125.456
where: short stacking energy: -54.265
Base-Backbone interact. energy: 0.298
local terms energy: -59.589045
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -12.067
flat angles C4'-P-C4' energy: -9.888
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: -11.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -166.610720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.610720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.610720 (E_RNA)
where:
Base-Base interactions energy: -101.781
where: short stacking energy: -49.858
Base-Backbone interact. energy: -0.175
local terms energy: -64.654315
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -14.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -80.123828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.123828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.123828 (E_RNA)
where:
Base-Base interactions energy: -26.020
where: short stacking energy: -26.020
Base-Backbone interact. energy: -0.236
local terms energy: -53.868804
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -11.202
flat angles P-C4'-P energy: -11.667
tors. eta vs tors. theta energy: -1.397
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: 440
Temperature: 1.350000
Total energy: -83.674882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.674882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.674882 (E_RNA)
where:
Base-Base interactions energy: -29.576
where: short stacking energy: -27.142
Base-Backbone interact. energy: -0.239
local terms energy: -53.859276
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -6.261
tors. eta vs tors. theta energy: -5.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -230.339801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.339801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.339801 (E_RNA)
where:
Base-Base interactions energy: -148.128
where: short stacking energy: -70.447
Base-Backbone interact. energy: -0.782
local terms energy: -81.430504
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -13.108
tors. eta vs tors. theta energy: -21.960
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: 2, replica: 2
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -224.145978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.145978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.145978 (E_RNA)
where:
Base-Base interactions energy: -146.147
where: short stacking energy: -69.152
Base-Backbone interact. energy: -0.387
local terms energy: -77.611517
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -20.188
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: 8
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -224.068454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.068454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.068454 (E_RNA)
where:
Base-Base interactions energy: -144.967
where: short stacking energy: -72.847
Base-Backbone interact. energy: -0.580
local terms energy: -78.521340
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -15.634
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -20.212
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: 10
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -209.938281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.938281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.938281 (E_RNA)
where:
Base-Base interactions energy: -135.528
where: short stacking energy: -61.869
Base-Backbone interact. energy: -0.084
local terms energy: -74.326756
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -15.370
flat angles C4'-P-C4' energy: -17.730
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -15.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -211.453145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.453145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.453145 (E_RNA)
where:
Base-Base interactions energy: -135.090
where: short stacking energy: -67.118
Base-Backbone interact. energy: -0.003
local terms energy: -76.360089
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -21.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -199.677875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.677875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.677875 (E_RNA)
where:
Base-Base interactions energy: -134.670
where: short stacking energy: -61.515
Base-Backbone interact. energy: -0.042
local terms energy: -64.966543
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -9.164
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -8.566
tors. eta vs tors. theta energy: -18.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -93.508264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.508264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.508264 (E_RNA)
where:
Base-Base interactions energy: -45.055
where: short stacking energy: -28.186
Base-Backbone interact. energy: -0.058
local terms energy: -48.395801
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -10.462
flat angles P-C4'-P energy: -5.636
tors. eta vs tors. theta energy: -4.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -86.679064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.679064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.679064 (E_RNA)
where:
Base-Base interactions energy: -36.243
where: short stacking energy: -23.611
Base-Backbone interact. energy: 1.649
local terms energy: -52.084851
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -7.888
tors. eta vs tors. theta energy: -2.402
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: 441
Temperature: 1.300000
Total energy: -132.710320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.710320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.710320 (E_RNA)
where:
Base-Base interactions energy: -82.039
where: short stacking energy: -41.038
Base-Backbone interact. energy: -0.099
local terms energy: -50.571874
where:
bonds (distance) C4'-P energy: -9.015
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -11.820
flat angles P-C4'-P energy: -6.496
tors. eta vs tors. theta energy: -11.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -73.891492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.891492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.891492 (E_RNA)
where:
Base-Base interactions energy: -22.953
where: short stacking energy: -19.486
Base-Backbone interact. energy: -0.018
local terms energy: -50.921247
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: 0.185
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: 1, replica: 2
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -227.872615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.872615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.872615 (E_RNA)
where:
Base-Base interactions energy: -149.811
where: short stacking energy: -70.932
Base-Backbone interact. energy: -0.227
local terms energy: -77.834404
where:
bonds (distance) C4'-P energy: -16.348
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -17.578
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: -18.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -232.777781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.777781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.777781 (E_RNA)
where:
Base-Base interactions energy: -155.838
where: short stacking energy: -78.676
Base-Backbone interact. energy: -0.459
local terms energy: -76.481224
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -24.028
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: 442
Temperature: 1.000000
Total energy: -217.500440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.500440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.500440 (E_RNA)
where:
Base-Base interactions energy: -135.908
where: short stacking energy: -63.868
Base-Backbone interact. energy: -0.042
local terms energy: -81.549922
where:
bonds (distance) C4'-P energy: -17.932
bonds (distance) P-C4' energy: -17.611
flat angles C4'-P-C4' energy: -17.277
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -19.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -215.316563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.316563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.316563 (E_RNA)
where:
Base-Base interactions energy: -137.365
where: short stacking energy: -67.252
Base-Backbone interact. energy: -0.127
local terms energy: -77.825107
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -21.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -194.908948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.908948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.908948 (E_RNA)
where:
Base-Base interactions energy: -130.280
where: short stacking energy: -69.056
Base-Backbone interact. energy: -0.000
local terms energy: -64.629091
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -8.175
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -19.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -212.104764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.104764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.104764 (E_RNA)
where:
Base-Base interactions energy: -137.096
where: short stacking energy: -67.561
Base-Backbone interact. energy: -0.094
local terms energy: -74.914888
where:
bonds (distance) C4'-P energy: -11.097
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -21.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -94.227756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.227756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.227756 (E_RNA)
where:
Base-Base interactions energy: -45.223
where: short stacking energy: -31.950
Base-Backbone interact. energy: -0.312
local terms energy: -48.692793
where:
bonds (distance) C4'-P energy: -8.422
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -6.973
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: -3.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -89.632508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.632508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.632508 (E_RNA)
where:
Base-Base interactions energy: -41.669
where: short stacking energy: -37.839
Base-Backbone interact. energy: -0.077
local terms energy: -47.887259
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -11.433
flat angles C4'-P-C4' energy: -6.570
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: -8.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -114.570791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.570791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.570791 (E_RNA)
where:
Base-Base interactions energy: -64.780
where: short stacking energy: -36.903
Base-Backbone interact. energy: -0.201
local terms energy: -49.589734
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -13.644
flat angles C4'-P-C4' energy: -10.428
flat angles P-C4'-P energy: -6.572
tors. eta vs tors. theta energy: -7.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -69.831315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.831315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.831315 (E_RNA)
where:
Base-Base interactions energy: -27.264
where: short stacking energy: -26.034
Base-Backbone interact. energy: -0.929
local terms energy: -41.638347
where:
bonds (distance) C4'-P energy: -12.275
bonds (distance) P-C4' energy: -11.495
flat angles C4'-P-C4' energy: -12.681
flat angles P-C4'-P energy: -5.572
tors. eta vs tors. theta energy: 0.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -228.952110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.952110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.952110 (E_RNA)
where:
Base-Base interactions energy: -154.729
where: short stacking energy: -78.968
Base-Backbone interact. energy: -0.000
local terms energy: -74.222159
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -11.839
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -21.717
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: 2, replica: 8
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -220.454613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.454613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.454613 (E_RNA)
where:
Base-Base interactions energy: -149.370
where: short stacking energy: -67.758
Base-Backbone interact. energy: -0.290
local terms energy: -70.793929
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -16.261
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: 6
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -216.746619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.746619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.746619 (E_RNA)
where:
Base-Base interactions energy: -143.312
where: short stacking energy: -66.091
Base-Backbone interact. energy: -0.016
local terms energy: -73.418587
where:
bonds (distance) C4'-P energy: -12.357
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -16.956
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -17.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -217.861902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.861902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.861902 (E_RNA)
where:
Base-Base interactions energy: -141.507
where: short stacking energy: -72.881
Base-Backbone interact. energy: -0.015
local terms energy: -76.339261
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -12.797
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -21.736
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: 5, replica: 10
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -208.961256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.961256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.961256 (E_RNA)
where:
Base-Base interactions energy: -133.144
where: short stacking energy: -61.534
Base-Backbone interact. energy: -0.351
local terms energy: -75.465955
where:
bonds (distance) C4'-P energy: -10.958
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -16.393
flat angles P-C4'-P energy: -12.051
tors. eta vs tors. theta energy: -18.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -197.322341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.322341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.322341 (E_RNA)
where:
Base-Base interactions energy: -130.990
where: short stacking energy: -57.472
Base-Backbone interact. energy: -0.184
local terms energy: -66.148440
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -13.097
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -14.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -89.926916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.926916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.926916 (E_RNA)
where:
Base-Base interactions energy: -36.580
where: short stacking energy: -36.580
Base-Backbone interact. energy: -0.018
local terms energy: -53.328272
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -11.762
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -3.057
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: 9
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -95.657252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.657252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.657252 (E_RNA)
where:
Base-Base interactions energy: -50.111
where: short stacking energy: -20.562
Base-Backbone interact. energy: -0.111
local terms energy: -45.434961
where:
bonds (distance) C4'-P energy: -14.203
bonds (distance) P-C4' energy: -11.099
flat angles C4'-P-C4' energy: -10.826
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -0.777
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: 1
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -85.224461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.224461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.224461 (E_RNA)
where:
Base-Base interactions energy: -29.347
where: short stacking energy: -27.142
Base-Backbone interact. energy: 0.775
local terms energy: -56.653014
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -13.177
flat angles C4'-P-C4' energy: -13.311
flat angles P-C4'-P energy: -9.966
tors. eta vs tors. theta energy: -4.237
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: 4
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -81.266039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.266039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.266039 (E_RNA)
where:
Base-Base interactions energy: -38.626
where: short stacking energy: -26.355
Base-Backbone interact. energy: -0.062
local terms energy: -42.578081
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -11.821
flat angles P-C4'-P energy: -5.241
tors. eta vs tors. theta energy: 1.816
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: 2
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -231.056597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.056597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.056597 (E_RNA)
where:
Base-Base interactions energy: -153.586
where: short stacking energy: -76.734
Base-Backbone interact. energy: -0.217
local terms energy: -77.253434
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -17.699
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: -18.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -221.728650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.728650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.728650 (E_RNA)
where:
Base-Base interactions energy: -145.289
where: short stacking energy: -74.857
Base-Backbone interact. energy: -0.010
local terms energy: -76.429397
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -13.453
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -12.467
tors. eta vs tors. theta energy: -18.457
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: 3
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -219.852102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.852102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.852102 (E_RNA)
where:
Base-Base interactions energy: -143.775
where: short stacking energy: -75.530
Base-Backbone interact. energy: -0.594
local terms energy: -75.482932
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -15.525
flat angles C4'-P-C4' energy: -12.790
flat angles P-C4'-P energy: -11.824
tors. eta vs tors. theta energy: -21.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -213.004690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.004690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.004690 (E_RNA)
where:
Base-Base interactions energy: -136.155
where: short stacking energy: -68.087
Base-Backbone interact. energy: -0.010
local terms energy: -76.840307
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -12.201
flat angles C4'-P-C4' energy: -17.366
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: -20.283
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: 7
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -193.327223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.327223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.327223 (E_RNA)
where:
Base-Base interactions energy: -123.340
where: short stacking energy: -58.106
Base-Backbone interact. energy: -0.037
local terms energy: -69.950233
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -11.676
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -11.421
tors. eta vs tors. theta energy: -16.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -195.151209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.151209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.151209 (E_RNA)
where:
Base-Base interactions energy: -128.365
where: short stacking energy: -61.830
Base-Backbone interact. energy: -0.126
local terms energy: -66.660482
where:
bonds (distance) C4'-P energy: -12.561
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -12.863
flat angles P-C4'-P energy: -9.330
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: 7, replica: 9
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -103.387651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.387651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.387651 (E_RNA)
where:
Base-Base interactions energy: -51.880
where: short stacking energy: -24.620
Base-Backbone interact. energy: -0.077
local terms energy: -51.430997
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -10.671
flat angles P-C4'-P energy: -6.986
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)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -81.018609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.018609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.018609 (E_RNA)
where:
Base-Base interactions energy: -28.934
where: short stacking energy: -28.934
Base-Backbone interact. energy: -0.098
local terms energy: -51.986791
where:
bonds (distance) C4'-P energy: -8.353
bonds (distance) P-C4' energy: -13.625
flat angles C4'-P-C4' energy: -11.813
flat angles P-C4'-P energy: -12.828
tors. eta vs tors. theta energy: -5.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -83.026486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.026486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.026486 (E_RNA)
where:
Base-Base interactions energy: -29.528
where: short stacking energy: -24.397
Base-Backbone interact. energy: -0.117
local terms energy: -53.382452
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -12.430
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -4.733
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: 1
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -67.196338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.196338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.196338 (E_RNA)
where:
Base-Base interactions energy: -20.792
where: short stacking energy: -19.558
Base-Backbone interact. energy: -0.400
local terms energy: -46.004508
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -4.776
flat angles P-C4'-P energy: -9.567
tors. eta vs tors. theta energy: 0.260
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: 2
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -228.506032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.506032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.506032 (E_RNA)
where:
Base-Base interactions energy: -150.238
where: short stacking energy: -66.711
Base-Backbone interact. energy: -0.273
local terms energy: -77.995606
where:
bonds (distance) C4'-P energy: -10.959
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -19.304
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -20.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -228.959857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.959857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.959857 (E_RNA)
where:
Base-Base interactions energy: -147.517
where: short stacking energy: -71.249
Base-Backbone interact. energy: -0.417
local terms energy: -81.026591
where:
bonds (distance) C4'-P energy: -13.322
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -13.445
tors. eta vs tors. theta energy: -21.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -223.061005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.061005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.061005 (E_RNA)
where:
Base-Base interactions energy: -141.397
where: short stacking energy: -67.446
Base-Backbone interact. energy: -0.310
local terms energy: -81.354180
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -13.422
tors. eta vs tors. theta energy: -20.151
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: 4, replica: 6
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -215.191042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.191042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.191042 (E_RNA)
where:
Base-Base interactions energy: -141.564
where: short stacking energy: -64.062
Base-Backbone interact. energy: -0.004
local terms energy: -73.623807
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -14.121
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -20.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -205.632720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.632720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.632720 (E_RNA)
where:
Base-Base interactions energy: -139.419
where: short stacking energy: -63.072
Base-Backbone interact. energy: -0.332
local terms energy: -65.881673
where:
bonds (distance) C4'-P energy: -11.599
bonds (distance) P-C4' energy: -15.934
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -4.295
tors. eta vs tors. theta energy: -19.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -196.595279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.595279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.595279 (E_RNA)
where:
Base-Base interactions energy: -131.099
where: short stacking energy: -61.544
Base-Backbone interact. energy: -0.237
local terms energy: -65.259923
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -13.238
flat angles C4'-P-C4' energy: -12.600
flat angles P-C4'-P energy: -10.347
tors. eta vs tors. theta energy: -16.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -84.185208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.185208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.185208 (E_RNA)
where:
Base-Base interactions energy: -38.859
where: short stacking energy: -29.250
Base-Backbone interact. energy: -0.240
local terms energy: -45.086527
where:
bonds (distance) C4'-P energy: -11.278
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -8.205
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: -2.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -101.245152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.245152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.245152 (E_RNA)
where:
Base-Base interactions energy: -52.875
where: short stacking energy: -31.979
Base-Backbone interact. energy: 1.095
local terms energy: -49.465156
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -11.401
flat angles P-C4'-P energy: -7.229
tors. eta vs tors. theta energy: -2.567
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: 9, replica: 5
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -93.664229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.664229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.664229 (E_RNA)
where:
Base-Base interactions energy: -36.881
where: short stacking energy: -30.704
Base-Backbone interact. energy: -0.085
local terms energy: -56.698183
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -12.436
flat angles P-C4'-P energy: -6.719
tors. eta vs tors. theta energy: -7.784
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: 1
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -80.955841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.955841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.955841 (E_RNA)
where:
Base-Base interactions energy: -28.617
where: short stacking energy: -28.617
Base-Backbone interact. energy: -0.133
local terms energy: -52.205923
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -7.794
tors. eta vs tors. theta energy: -3.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -231.439745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.439745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.439745 (E_RNA)
where:
Base-Base interactions energy: -154.055
where: short stacking energy: -82.912
Base-Backbone interact. energy: -0.359
local terms energy: -77.025400
where:
bonds (distance) C4'-P energy: -13.487
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -16.418
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -22.070
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: 2, replica: 2
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -233.401827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.401827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.401827 (E_RNA)
where:
Base-Base interactions energy: -149.434
where: short stacking energy: -75.897
Base-Backbone interact. energy: -0.025
local terms energy: -83.942860
where:
bonds (distance) C4'-P energy: -16.302
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -17.427
flat angles P-C4'-P energy: -13.640
tors. eta vs tors. theta energy: -23.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -233.180997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.180997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.180997 (E_RNA)
where:
Base-Base interactions energy: -149.650
where: short stacking energy: -65.922
Base-Backbone interact. energy: -0.443
local terms energy: -83.087533
where:
bonds (distance) C4'-P energy: -18.342
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -13.982
tors. eta vs tors. theta energy: -18.609
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: 3
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -213.523602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.523602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.523602 (E_RNA)
where:
Base-Base interactions energy: -144.297
where: short stacking energy: -65.244
Base-Backbone interact. energy: -0.011
local terms energy: -69.215290
where:
bonds (distance) C4'-P energy: -15.957
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -5.435
tors. eta vs tors. theta energy: -19.402
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: 10
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -184.103962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.103962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.103962 (E_RNA)
where:
Base-Base interactions energy: -116.674
where: short stacking energy: -58.228
Base-Backbone interact. energy: -0.226
local terms energy: -67.204017
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -12.738
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -12.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -210.915644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.915644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.915644 (E_RNA)
where:
Base-Base interactions energy: -137.784
where: short stacking energy: -59.683
Base-Backbone interact. energy: -0.541
local terms energy: -72.590592
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -16.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -90.796096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.796096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.796096 (E_RNA)
where:
Base-Base interactions energy: -38.889
where: short stacking energy: -33.527
Base-Backbone interact. energy: -0.043
local terms energy: -51.863831
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -12.204
flat angles C4'-P-C4' energy: -11.513
flat angles P-C4'-P energy: -4.033
tors. eta vs tors. theta energy: -8.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -87.778456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.778456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.778456 (E_RNA)
where:
Base-Base interactions energy: -36.863
where: short stacking energy: -35.879
Base-Backbone interact. energy: -0.065
local terms energy: -50.850464
where:
bonds (distance) C4'-P energy: -10.902
bonds (distance) P-C4' energy: -10.802
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -5.045
tors. eta vs tors. theta energy: -8.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -82.583982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.583982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.583982 (E_RNA)
where:
Base-Base interactions energy: -42.222
where: short stacking energy: -31.279
Base-Backbone interact. energy: -0.027
local terms energy: -40.335052
where:
bonds (distance) C4'-P energy: -11.371
bonds (distance) P-C4' energy: -4.358
flat angles C4'-P-C4' energy: -11.551
flat angles P-C4'-P energy: -5.955
tors. eta vs tors. theta energy: -7.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -76.733994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.733994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.733994 (E_RNA)
where:
Base-Base interactions energy: -23.901
where: short stacking energy: -23.901
Base-Backbone interact. energy: -0.145
local terms energy: -52.688300
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -19.159
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -5.711
tors. eta vs tors. theta energy: -0.636
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: 1, replica: 8
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -235.066632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.066632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.066632 (E_RNA)
where:
Base-Base interactions energy: -149.045
where: short stacking energy: -74.724
Base-Backbone interact. energy: -0.200
local terms energy: -85.821722
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -17.430
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -14.719
tors. eta vs tors. theta energy: -21.924
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: 2, replica: 6
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -227.834271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.834271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.834271 (E_RNA)
where:
Base-Base interactions energy: -147.924
where: short stacking energy: -68.124
Base-Backbone interact. energy: -0.004
local terms energy: -79.906363
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -12.941
tors. eta vs tors. theta energy: -22.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -227.512850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.512850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.512850 (E_RNA)
where:
Base-Base interactions energy: -148.051
where: short stacking energy: -72.162
Base-Backbone interact. energy: -0.679
local terms energy: -78.783187
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -19.381
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -7.536
tors. eta vs tors. theta energy: -20.322
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: 3
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -216.618006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.618006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.618006 (E_RNA)
where:
Base-Base interactions energy: -140.654
where: short stacking energy: -73.867
Base-Backbone interact. energy: -0.006
local terms energy: -75.957765
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -12.376
tors. eta vs tors. theta energy: -21.503
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: 10
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -198.849154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.849154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.849154 (E_RNA)
where:
Base-Base interactions energy: -137.649
where: short stacking energy: -60.598
Base-Backbone interact. energy: -0.944
local terms energy: -60.255831
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -10.419
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -13.430
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: 7
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -197.552252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.552252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.552252 (E_RNA)
where:
Base-Base interactions energy: -136.062
where: short stacking energy: -58.382
Base-Backbone interact. energy: -0.178
local terms energy: -61.312200
where:
bonds (distance) C4'-P energy: -10.269
bonds (distance) P-C4' energy: -11.219
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -5.589
tors. eta vs tors. theta energy: -18.364
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: 4
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -89.000668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.000668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.000668 (E_RNA)
where:
Base-Base interactions energy: -30.954
where: short stacking energy: -30.469
Base-Backbone interact. energy: -0.203
local terms energy: -57.843181
where:
bonds (distance) C4'-P energy: -11.357
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -5.904
tors. eta vs tors. theta energy: -10.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -88.831441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.831441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.831441 (E_RNA)
where:
Base-Base interactions energy: -37.806
where: short stacking energy: -27.532
Base-Backbone interact. energy: -0.106
local terms energy: -50.919191
where:
bonds (distance) C4'-P energy: -11.624
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -9.472
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -5.836
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: 9
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -81.870821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.870821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.870821 (E_RNA)
where:
Base-Base interactions energy: -35.084
where: short stacking energy: -34.408
Base-Backbone interact. energy: -0.757
local terms energy: -46.029857
where:
bonds (distance) C4'-P energy: -8.138
bonds (distance) P-C4' energy: -9.934
flat angles C4'-P-C4' energy: -8.679
flat angles P-C4'-P energy: -8.029
tors. eta vs tors. theta energy: -11.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -78.228909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.228909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.228909 (E_RNA)
where:
Base-Base interactions energy: -34.649
where: short stacking energy: -34.649
Base-Backbone interact. energy: -0.132
local terms energy: -43.448339
where:
bonds (distance) C4'-P energy: -9.968
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -9.252
flat angles P-C4'-P energy: -5.313
tors. eta vs tors. theta energy: -2.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -233.773693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.773693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.773693 (E_RNA)
where:
Base-Base interactions energy: -154.903
where: short stacking energy: -80.457
Base-Backbone interact. energy: -0.050
local terms energy: -78.820419
where:
bonds (distance) C4'-P energy: -9.814
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -17.947
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -21.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -220.510693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.510693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.510693 (E_RNA)
where:
Base-Base interactions energy: -144.524
where: short stacking energy: -72.243
Base-Backbone interact. energy: -1.136
local terms energy: -74.850528
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -9.560
flat angles C4'-P-C4' energy: -17.557
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -21.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -223.512285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.512285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.512285 (E_RNA)
where:
Base-Base interactions energy: -147.672
where: short stacking energy: -70.443
Base-Backbone interact. energy: -0.005
local terms energy: -75.835005
where:
bonds (distance) C4'-P energy: -13.330
bonds (distance) P-C4' energy: -12.140
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -14.036
tors. eta vs tors. theta energy: -20.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -211.261006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.261006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.261006 (E_RNA)
where:
Base-Base interactions energy: -139.552
where: short stacking energy: -61.882
Base-Backbone interact. energy: -0.679
local terms energy: -71.029227
where:
bonds (distance) C4'-P energy: -10.964
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: -15.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -213.308027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.308027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.308027 (E_RNA)
where:
Base-Base interactions energy: -135.210
where: short stacking energy: -64.496
Base-Backbone interact. energy: -0.012
local terms energy: -78.085919
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -11.537
tors. eta vs tors. theta energy: -19.015
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: 10
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -180.342381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.342381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.342381 (E_RNA)
where:
Base-Base interactions energy: -108.305
where: short stacking energy: -53.807
Base-Backbone interact. energy: -0.096
local terms energy: -71.941912
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -12.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -126.748131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.748131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.748131 (E_RNA)
where:
Base-Base interactions energy: -77.889
where: short stacking energy: -36.704
Base-Backbone interact. energy: -0.047
local terms energy: -48.812244
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -11.835
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -2.724
tors. eta vs tors. theta energy: -6.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -82.675739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.675739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.675739 (E_RNA)
where:
Base-Base interactions energy: -34.095
where: short stacking energy: -30.884
Base-Backbone interact. energy: 0.431
local terms energy: -49.012099
where:
bonds (distance) C4'-P energy: -11.366
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -11.904
flat angles P-C4'-P energy: -6.506
tors. eta vs tors. theta energy: -2.978
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: 5
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -83.865033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.865033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.865033 (E_RNA)
where:
Base-Base interactions energy: -39.162
where: short stacking energy: -28.192
Base-Backbone interact. energy: -0.238
local terms energy: -44.465882
where:
bonds (distance) C4'-P energy: -12.880
bonds (distance) P-C4' energy: -13.267
flat angles C4'-P-C4' energy: -12.631
flat angles P-C4'-P energy: -5.330
tors. eta vs tors. theta energy: -0.357
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: 9
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -80.296626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.296626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.296626 (E_RNA)
where:
Base-Base interactions energy: -27.234
where: short stacking energy: -27.234
Base-Backbone interact. energy: -0.078
local terms energy: -52.985168
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -9.331
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -5.222
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: 6
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -236.470177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.470177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.470177 (E_RNA)
where:
Base-Base interactions energy: -159.280
where: short stacking energy: -78.277
Base-Backbone interact. energy: -0.538
local terms energy: -76.652613
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -14.537
flat angles C4'-P-C4' energy: -17.726
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: -20.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -239.717233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.717233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.717233 (E_RNA)
where:
Base-Base interactions energy: -155.587
where: short stacking energy: -74.608
Base-Backbone interact. energy: -0.239
local terms energy: -83.890579
where:
bonds (distance) C4'-P energy: -14.390
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -16.432
flat angles P-C4'-P energy: -13.745
tors. eta vs tors. theta energy: -23.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -218.207024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.207024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.207024 (E_RNA)
where:
Base-Base interactions energy: -141.119
where: short stacking energy: -70.792
Base-Backbone interact. energy: -0.008
local terms energy: -77.080144
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -17.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -215.776449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.776449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.776449 (E_RNA)
where:
Base-Base interactions energy: -144.531
where: short stacking energy: -70.260
Base-Backbone interact. energy: -0.001
local terms energy: -71.244809
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -10.027
tors. eta vs tors. theta energy: -21.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -214.783784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.783784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.783784 (E_RNA)
where:
Base-Base interactions energy: -143.536
where: short stacking energy: -65.151
Base-Backbone interact. energy: -0.239
local terms energy: -71.008627
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -19.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -158.228344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.228344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.228344 (E_RNA)
where:
Base-Base interactions energy: -90.960
where: short stacking energy: -47.566
Base-Backbone interact. energy: -0.019
local terms energy: -67.249690
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -11.670
flat angles C4'-P-C4' energy: -12.698
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -16.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -199.426584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.426584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.426584 (E_RNA)
where:
Base-Base interactions energy: -133.746
where: short stacking energy: -59.832
Base-Backbone interact. energy: -0.023
local terms energy: -65.657544
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -12.488
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: -18.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -87.752557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.752557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.752557 (E_RNA)
where:
Base-Base interactions energy: -41.725
where: short stacking energy: -35.971
Base-Backbone interact. energy: 0.179
local terms energy: -46.206469
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -12.977
flat angles C4'-P-C4' energy: -7.414
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: -4.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -76.818685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.818685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.818685 (E_RNA)
where:
Base-Base interactions energy: -35.200
where: short stacking energy: -19.131
Base-Backbone interact. energy: 1.416
local terms energy: -43.034716
where:
bonds (distance) C4'-P energy: -12.500
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -1.448
tors. eta vs tors. theta energy: 0.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -84.442383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.442383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.442383 (E_RNA)
where:
Base-Base interactions energy: -38.461
where: short stacking energy: -29.560
Base-Backbone interact. energy: 0.088
local terms energy: -46.069334
where:
bonds (distance) C4'-P energy: -10.737
bonds (distance) P-C4' energy: -10.956
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -2.190
tors. eta vs tors. theta energy: -7.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -233.599171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.599171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.599171 (E_RNA)
where:
Base-Base interactions energy: -152.561
where: short stacking energy: -76.115
Base-Backbone interact. energy: -0.001
local terms energy: -81.037790
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -17.676
flat angles P-C4'-P energy: -12.856
tors. eta vs tors. theta energy: -21.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -226.986158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.986158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.986158 (E_RNA)
where:
Base-Base interactions energy: -149.321
where: short stacking energy: -78.123
Base-Backbone interact. energy: -0.002
local terms energy: -77.663319
where:
bonds (distance) C4'-P energy: -16.835
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -11.357
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: 3, replica: 8
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -208.011713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.011713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.011713 (E_RNA)
where:
Base-Base interactions energy: -135.425
where: short stacking energy: -65.913
Base-Backbone interact. energy: -0.262
local terms energy: -72.324449
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -12.477
flat angles C4'-P-C4' energy: -18.061
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: -20.336
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: 7
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -209.666693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.666693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.666693 (E_RNA)
where:
Base-Base interactions energy: -142.568
where: short stacking energy: -65.076
Base-Backbone interact. energy: -0.100
local terms energy: -66.998386
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -15.510
flat angles C4'-P-C4' energy: -12.189
flat angles P-C4'-P energy: -6.861
tors. eta vs tors. theta energy: -16.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -212.687130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.687130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.687130 (E_RNA)
where:
Base-Base interactions energy: -138.464
where: short stacking energy: -67.808
Base-Backbone interact. energy: -0.618
local terms energy: -73.604833
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -19.530
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: 4
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -157.113621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.113621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.113621 (E_RNA)
where:
Base-Base interactions energy: -93.527
where: short stacking energy: -43.435
Base-Backbone interact. energy: -0.670
local terms energy: -62.916115
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -15.365
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -8.838
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: 10
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -195.463211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.463211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.463211 (E_RNA)
where:
Base-Base interactions energy: -126.795
where: short stacking energy: -63.009
Base-Backbone interact. energy: -0.001
local terms energy: -68.667244
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -5.430
tors. eta vs tors. theta energy: -15.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -106.460550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.460550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.460550 (E_RNA)
where:
Base-Base interactions energy: -53.665
where: short stacking energy: -26.209
Base-Backbone interact. energy: -0.119
local terms energy: -52.677121
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -11.233
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: 1.477
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: 9
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -84.063413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.063413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.063413 (E_RNA)
where:
Base-Base interactions energy: -30.550
where: short stacking energy: -27.306
Base-Backbone interact. energy: -0.127
local terms energy: -53.386369
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -11.616
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: -3.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -79.585820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.585820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.585820 (E_RNA)
where:
Base-Base interactions energy: -40.298
where: short stacking energy: -31.774
Base-Backbone interact. energy: -0.143
local terms energy: -39.144147
where:
bonds (distance) C4'-P energy: -9.353
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -0.723
tors. eta vs tors. theta energy: -0.415
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: 1, replica: 2
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -232.187905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.187905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.187905 (E_RNA)
where:
Base-Base interactions energy: -155.586
where: short stacking energy: -72.128
Base-Backbone interact. energy: -0.281
local terms energy: -76.321126
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -20.630
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: 2, replica: 8
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -218.163732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.163732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.163732 (E_RNA)
where:
Base-Base interactions energy: -147.763
where: short stacking energy: -68.918
Base-Backbone interact. energy: 0.767
local terms energy: -71.167179
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -13.820
flat angles C4'-P-C4' energy: -13.507
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: -21.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -220.543814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.543814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.543814 (E_RNA)
where:
Base-Base interactions energy: -152.026
where: short stacking energy: -77.250
Base-Backbone interact. energy: -0.001
local terms energy: -68.517017
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -11.421
tors. eta vs tors. theta energy: -17.932
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: 3
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -219.630664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.630664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.630664 (E_RNA)
where:
Base-Base interactions energy: -140.157
where: short stacking energy: -66.806
Base-Backbone interact. energy: -0.091
local terms energy: -79.382812
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -10.236
tors. eta vs tors. theta energy: -22.315
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: 7
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -212.552959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.552959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.552959 (E_RNA)
where:
Base-Base interactions energy: -136.286
where: short stacking energy: -72.987
Base-Backbone interact. energy: -0.507
local terms energy: -75.760554
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -21.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -210.456753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.456753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.456753 (E_RNA)
where:
Base-Base interactions energy: -136.538
where: short stacking energy: -65.194
Base-Backbone interact. energy: -0.076
local terms energy: -73.842037
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -20.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -175.307118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.307118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.307118 (E_RNA)
where:
Base-Base interactions energy: -112.663
where: short stacking energy: -51.573
Base-Backbone interact. energy: -0.095
local terms energy: -62.548613
where:
bonds (distance) C4'-P energy: -16.256
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -11.099
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: -12.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -104.324270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.324270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.324270 (E_RNA)
where:
Base-Base interactions energy: -52.129
where: short stacking energy: -28.706
Base-Backbone interact. energy: -0.038
local terms energy: -52.157151
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -8.443
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -9.807
tors. eta vs tors. theta energy: -5.763
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: 9
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -83.051276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.051276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.051276 (E_RNA)
where:
Base-Base interactions energy: -38.243
where: short stacking energy: -28.237
Base-Backbone interact. energy: -0.038
local terms energy: -44.771125
where:
bonds (distance) C4'-P energy: -12.456
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -11.184
flat angles P-C4'-P energy: -3.502
tors. eta vs tors. theta energy: -4.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -75.394060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.394060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.394060 (E_RNA)
where:
Base-Base interactions energy: -28.729
where: short stacking energy: -27.678
Base-Backbone interact. energy: -0.220
local terms energy: -46.444105
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -7.501
tors. eta vs tors. theta energy: 1.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -226.517141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.517141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.517141 (E_RNA)
where:
Base-Base interactions energy: -149.535
where: short stacking energy: -66.963
Base-Backbone interact. energy: -0.312
local terms energy: -76.670242
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -12.845
tors. eta vs tors. theta energy: -17.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -228.427427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.427427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.427427 (E_RNA)
where:
Base-Base interactions energy: -155.296
where: short stacking energy: -72.239
Base-Backbone interact. energy: -0.168
local terms energy: -72.963929
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -10.502
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -13.898
tors. eta vs tors. theta energy: -17.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -225.285859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.285859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.285859 (E_RNA)
where:
Base-Base interactions energy: -146.841
where: short stacking energy: -71.414
Base-Backbone interact. energy: -0.000
local terms energy: -78.444449
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -12.719
tors. eta vs tors. theta energy: -19.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -214.629677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.629677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.629677 (E_RNA)
where:
Base-Base interactions energy: -139.893
where: short stacking energy: -70.412
Base-Backbone interact. energy: -0.269
local terms energy: -74.468441
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -16.130
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -20.476
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: 10
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -205.020553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.020553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.020553 (E_RNA)
where:
Base-Base interactions energy: -136.341
where: short stacking energy: -70.427
Base-Backbone interact. energy: -0.033
local terms energy: -68.646566
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -8.764
flat angles C4'-P-C4' energy: -13.587
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -21.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -213.251042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.251042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.251042 (E_RNA)
where:
Base-Base interactions energy: -139.374
where: short stacking energy: -67.551
Base-Backbone interact. energy: -0.555
local terms energy: -73.322031
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -13.041
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -12.699
tors. eta vs tors. theta energy: -17.782
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: 452
Temperature: 1.200000
Total energy: -180.517617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.517617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.517617 (E_RNA)
where:
Base-Base interactions energy: -108.699
where: short stacking energy: -53.058
Base-Backbone interact. energy: -0.002
local terms energy: -71.816820
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -12.169
tors. eta vs tors. theta energy: -18.124
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: 8, replica: 1
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -94.207763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.207763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.207763 (E_RNA)
where:
Base-Base interactions energy: -32.996
where: short stacking energy: -32.968
Base-Backbone interact. energy: -0.106
local terms energy: -61.105466
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -15.584
flat angles C4'-P-C4' energy: -11.290
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -10.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -85.257642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.257642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.257642 (E_RNA)
where:
Base-Base interactions energy: -44.512
where: short stacking energy: -43.214
Base-Backbone interact. energy: -0.157
local terms energy: -40.588058
where:
bonds (distance) C4'-P energy: -11.098
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -0.054
tors. eta vs tors. theta energy: -3.970
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: 5
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -72.490545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.490545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.490545 (E_RNA)
where:
Base-Base interactions energy: -30.252
where: short stacking energy: -29.962
Base-Backbone interact. energy: -0.224
local terms energy: -42.014711
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -11.709
flat angles C4'-P-C4' energy: -9.168
flat angles P-C4'-P energy: -4.391
tors. eta vs tors. theta energy: -3.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -228.560915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.560915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.560915 (E_RNA)
where:
Base-Base interactions energy: -152.461
where: short stacking energy: -74.703
Base-Backbone interact. energy: -0.584
local terms energy: -75.515792
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -19.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -223.937324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.937324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.937324 (E_RNA)
where:
Base-Base interactions energy: -145.531
where: short stacking energy: -65.610
Base-Backbone interact. energy: -0.687
local terms energy: -77.719109
where:
bonds (distance) C4'-P energy: -17.550
bonds (distance) P-C4' energy: -14.738
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -11.812
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: 3, replica: 6
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -225.470450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.470450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.470450 (E_RNA)
where:
Base-Base interactions energy: -147.286
where: short stacking energy: -71.908
Base-Backbone interact. energy: -0.218
local terms energy: -77.966806
where:
bonds (distance) C4'-P energy: -17.034
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -11.594
tors. eta vs tors. theta energy: -20.483
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: 3
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -206.647871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.647871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.647871 (E_RNA)
where:
Base-Base interactions energy: -139.260
where: short stacking energy: -67.314
Base-Backbone interact. energy: -0.004
local terms energy: -67.383958
where:
bonds (distance) C4'-P energy: -9.760
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -18.676
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: 10
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -193.068709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.068709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.068709 (E_RNA)
where:
Base-Base interactions energy: -126.259
where: short stacking energy: -67.037
Base-Backbone interact. energy: -0.036
local terms energy: -66.773911
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -7.377
tors. eta vs tors. theta energy: -16.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -157.764468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.764468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.764468 (E_RNA)
where:
Base-Base interactions energy: -100.484
where: short stacking energy: -54.902
Base-Backbone interact. energy: -0.055
local terms energy: -57.225276
where:
bonds (distance) C4'-P energy: -7.470
bonds (distance) P-C4' energy: -14.908
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -9.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -192.358787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.358787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.358787 (E_RNA)
where:
Base-Base interactions energy: -126.350
where: short stacking energy: -59.697
Base-Backbone interact. energy: -0.045
local terms energy: -65.964681
where:
bonds (distance) C4'-P energy: -9.466
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -16.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -86.746918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.746918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.746918 (E_RNA)
where:
Base-Base interactions energy: -32.945
where: short stacking energy: -31.784
Base-Backbone interact. energy: -0.188
local terms energy: -53.614384
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -7.763
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: -8.536
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: 1
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -85.426906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.426906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.426906 (E_RNA)
where:
Base-Base interactions energy: -30.363
where: short stacking energy: -30.363
Base-Backbone interact. energy: -0.202
local terms energy: -54.861334
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -13.571
flat angles C4'-P-C4' energy: -10.824
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -4.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -72.293759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.293759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.293759 (E_RNA)
where:
Base-Base interactions energy: -28.471
where: short stacking energy: -19.498
Base-Backbone interact. energy: -0.463
local terms energy: -43.359210
where:
bonds (distance) C4'-P energy: -10.895
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -7.048
tors. eta vs tors. theta energy: 2.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -225.487996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.487996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.487996 (E_RNA)
where:
Base-Base interactions energy: -152.327
where: short stacking energy: -67.346
Base-Backbone interact. energy: -0.496
local terms energy: -72.665623
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -19.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -230.102021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.102021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.102021 (E_RNA)
where:
Base-Base interactions energy: -152.870
where: short stacking energy: -74.622
Base-Backbone interact. energy: -0.716
local terms energy: -76.515772
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -21.497
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: 6
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -226.462196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.462196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.462196 (E_RNA)
where:
Base-Base interactions energy: -154.726
where: short stacking energy: -76.243
Base-Backbone interact. energy: -0.000
local terms energy: -71.735701
where:
bonds (distance) C4'-P energy: -11.951
bonds (distance) P-C4' energy: -11.603
flat angles C4'-P-C4' energy: -15.768
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -20.153
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: 3
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -207.188635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.188635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.188635 (E_RNA)
where:
Base-Base interactions energy: -135.890
where: short stacking energy: -70.221
Base-Backbone interact. energy: 0.175
local terms energy: -71.473407
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -18.329
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: 5, replica: 10
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -192.192342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.192342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.192342 (E_RNA)
where:
Base-Base interactions energy: -127.277
where: short stacking energy: -70.198
Base-Backbone interact. energy: -0.000
local terms energy: -64.915157
where:
bonds (distance) C4'-P energy: -8.232
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -18.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -165.415341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.415341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.415341 (E_RNA)
where:
Base-Base interactions energy: -110.155
where: short stacking energy: -46.060
Base-Backbone interact. energy: -0.706
local terms energy: -54.554977
where:
bonds (distance) C4'-P energy: -11.078
bonds (distance) P-C4' energy: -9.885
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -11.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -188.858367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.858367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.858367 (E_RNA)
where:
Base-Base interactions energy: -120.341
where: short stacking energy: -64.439
Base-Backbone interact. energy: 1.042
local terms energy: -69.559380
where:
bonds (distance) C4'-P energy: -13.363
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -12.915
flat angles P-C4'-P energy: -12.374
tors. eta vs tors. theta energy: -16.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -85.469328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.469328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.469328 (E_RNA)
where:
Base-Base interactions energy: -41.534
where: short stacking energy: -30.917
Base-Backbone interact. energy: -0.479
local terms energy: -43.456282
where:
bonds (distance) C4'-P energy: -13.272
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -9.193
flat angles P-C4'-P energy: -2.752
tors. eta vs tors. theta energy: -1.511
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: 9, replica: 1
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -75.926461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.926461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.926461 (E_RNA)
where:
Base-Base interactions energy: -26.600
where: short stacking energy: -23.408
Base-Backbone interact. energy: -0.123
local terms energy: -49.203250
where:
bonds (distance) C4'-P energy: -10.717
bonds (distance) P-C4' energy: -11.649
flat angles C4'-P-C4' energy: -13.319
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: -5.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -77.799396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.799396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.799396 (E_RNA)
where:
Base-Base interactions energy: -29.376
where: short stacking energy: -29.376
Base-Backbone interact. energy: -0.407
local terms energy: -48.015754
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -8.193
tors. eta vs tors. theta energy: -0.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -235.214186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.214186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.214186 (E_RNA)
where:
Base-Base interactions energy: -152.001
where: short stacking energy: -75.499
Base-Backbone interact. energy: -0.002
local terms energy: -83.210640
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -17.181
flat angles P-C4'-P energy: -12.445
tors. eta vs tors. theta energy: -23.480
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: 6
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -236.373715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.373715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.373715 (E_RNA)
where:
Base-Base interactions energy: -152.289
where: short stacking energy: -75.573
Base-Backbone interact. energy: -0.043
local terms energy: -84.040984
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -17.353
flat angles P-C4'-P energy: -13.310
tors. eta vs tors. theta energy: -20.993
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: 3, replica: 2
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -228.923300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.923300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.923300 (E_RNA)
where:
Base-Base interactions energy: -144.931
where: short stacking energy: -75.764
Base-Backbone interact. energy: -0.351
local terms energy: -83.641593
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -20.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -219.195428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.195428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.195428 (E_RNA)
where:
Base-Base interactions energy: -142.716
where: short stacking energy: -67.501
Base-Backbone interact. energy: -0.128
local terms energy: -76.351877
where:
bonds (distance) C4'-P energy: -13.198
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -20.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -205.431559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.431559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.431559 (E_RNA)
where:
Base-Base interactions energy: -129.763
where: short stacking energy: -60.971
Base-Backbone interact. energy: -1.097
local terms energy: -74.571982
where:
bonds (distance) C4'-P energy: -16.733
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -5.971
tors. eta vs tors. theta energy: -20.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -206.749057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.749057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.749057 (E_RNA)
where:
Base-Base interactions energy: -133.171
where: short stacking energy: -62.790
Base-Backbone interact. energy: -0.349
local terms energy: -73.228962
where:
bonds (distance) C4'-P energy: -16.200
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -16.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -177.506766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.506766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.506766 (E_RNA)
where:
Base-Base interactions energy: -111.619
where: short stacking energy: -50.102
Base-Backbone interact. energy: -0.302
local terms energy: -65.585657
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -8.618
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -13.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -80.574661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.574661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.574661 (E_RNA)
where:
Base-Base interactions energy: -38.703
where: short stacking energy: -36.221
Base-Backbone interact. energy: 0.480
local terms energy: -42.351396
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -12.374
flat angles C4'-P-C4' energy: -6.393
flat angles P-C4'-P energy: -7.200
tors. eta vs tors. theta energy: -2.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -78.676875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.676875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.676875 (E_RNA)
where:
Base-Base interactions energy: -30.717
where: short stacking energy: -29.295
Base-Backbone interact. energy: -0.165
local terms energy: -47.794837
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -13.977
flat angles P-C4'-P energy: -4.484
tors. eta vs tors. theta energy: -3.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -72.022641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.022641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.022641 (E_RNA)
where:
Base-Base interactions energy: -27.114
where: short stacking energy: -22.237
Base-Backbone interact. energy: 0.487
local terms energy: -45.395129
where:
bonds (distance) C4'-P energy: -11.775
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -9.570
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: -0.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -224.383761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.383761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.383761 (E_RNA)
where:
Base-Base interactions energy: -148.136
where: short stacking energy: -68.236
Base-Backbone interact. energy: -0.044
local terms energy: -76.204563
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -15.732
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -22.894
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: 6
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -228.409581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.409581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.409581 (E_RNA)
where:
Base-Base interactions energy: -146.349
where: short stacking energy: -67.108
Base-Backbone interact. energy: -0.042
local terms energy: -82.019349
where:
bonds (distance) C4'-P energy: -18.085
bonds (distance) P-C4' energy: -15.500
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -20.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -226.200032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.200032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.200032 (E_RNA)
where:
Base-Base interactions energy: -146.692
where: short stacking energy: -78.142
Base-Backbone interact. energy: -0.580
local terms energy: -78.928090
where:
bonds (distance) C4'-P energy: -11.972
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -22.817
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: 3
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -213.065446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.065446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.065446 (E_RNA)
where:
Base-Base interactions energy: -139.658
where: short stacking energy: -62.813
Base-Backbone interact. energy: -0.007
local terms energy: -73.400784
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -16.218
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -12.096
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: 5, replica: 7
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -201.623414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.623414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.623414 (E_RNA)
where:
Base-Base interactions energy: -128.375
where: short stacking energy: -52.610
Base-Backbone interact. energy: -0.150
local terms energy: -73.098167
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -12.440
tors. eta vs tors. theta energy: -16.596
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: 6, replica: 10
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -208.641176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.641176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.641176 (E_RNA)
where:
Base-Base interactions energy: -137.908
where: short stacking energy: -66.068
Base-Backbone interact. energy: -0.002
local terms energy: -70.731688
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -13.345
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -16.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -161.141328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.141328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.141328 (E_RNA)
where:
Base-Base interactions energy: -97.232
where: short stacking energy: -49.179
Base-Backbone interact. energy: -0.122
local terms energy: -63.787991
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -13.975
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -11.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -85.384937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.384937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.384937 (E_RNA)
where:
Base-Base interactions energy: -35.362
where: short stacking energy: -35.360
Base-Backbone interact. energy: -0.095
local terms energy: -49.928052
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -10.788
flat angles P-C4'-P energy: -8.229
tors. eta vs tors. theta energy: -2.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -87.436845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.436845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.436845 (E_RNA)
where:
Base-Base interactions energy: -37.755
where: short stacking energy: -37.755
Base-Backbone interact. energy: 1.596
local terms energy: -51.277878
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -14.936
flat angles C4'-P-C4' energy: -11.693
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -0.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -81.280488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.280488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.280488 (E_RNA)
where:
Base-Base interactions energy: -35.482
where: short stacking energy: -34.344
Base-Backbone interact. energy: -0.086
local terms energy: -45.712437
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -10.208
flat angles C4'-P-C4' energy: -12.163
flat angles P-C4'-P energy: -4.567
tors. eta vs tors. theta energy: -4.176
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: 8
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -224.558721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.558721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.558721 (E_RNA)
where:
Base-Base interactions energy: -143.964
where: short stacking energy: -69.059
Base-Backbone interact. energy: -0.725
local terms energy: -79.870111
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -17.577
flat angles P-C4'-P energy: -12.353
tors. eta vs tors. theta energy: -20.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -221.571716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.571716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.571716 (E_RNA)
where:
Base-Base interactions energy: -143.248
where: short stacking energy: -79.881
Base-Backbone interact. energy: -0.002
local terms energy: -78.321731
where:
bonds (distance) C4'-P energy: -15.674
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: -19.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -223.972587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.972587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.972587 (E_RNA)
where:
Base-Base interactions energy: -147.752
where: short stacking energy: -69.826
Base-Backbone interact. energy: -0.330
local terms energy: -75.890140
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -17.595
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -21.037
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: 4, replica: 3
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -214.407222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.407222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.407222 (E_RNA)
where:
Base-Base interactions energy: -142.270
where: short stacking energy: -61.569
Base-Backbone interact. energy: -0.162
local terms energy: -71.975668
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -10.449
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -13.911
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: 5, replica: 7
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -203.124057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.124057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.124057 (E_RNA)
where:
Base-Base interactions energy: -134.174
where: short stacking energy: -63.783
Base-Backbone interact. energy: -0.884
local terms energy: -68.066497
where:
bonds (distance) C4'-P energy: -10.244
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -17.748
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: 457
Temperature: 1.150000
Total energy: -166.747151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.747151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.747151 (E_RNA)
where:
Base-Base interactions energy: -104.769
where: short stacking energy: -64.393
Base-Backbone interact. energy: -0.002
local terms energy: -61.976238
where:
bonds (distance) C4'-P energy: -9.831
bonds (distance) P-C4' energy: -12.272
flat angles C4'-P-C4' energy: -11.037
flat angles P-C4'-P energy: -11.972
tors. eta vs tors. theta energy: -16.865
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: 10
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -187.005275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.005275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.005275 (E_RNA)
where:
Base-Base interactions energy: -122.853
where: short stacking energy: -57.140
Base-Backbone interact. energy: -0.235
local terms energy: -63.917206
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -11.652
flat angles P-C4'-P energy: -7.693
tors. eta vs tors. theta energy: -12.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -109.674014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.674014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.674014 (E_RNA)
where:
Base-Base interactions energy: -53.166
where: short stacking energy: -37.499
Base-Backbone interact. energy: -0.032
local terms energy: -56.475808
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -14.201
flat angles P-C4'-P energy: -7.234
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: 9, replica: 1
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -85.650909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.650909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.650909 (E_RNA)
where:
Base-Base interactions energy: -29.630
where: short stacking energy: -26.591
Base-Backbone interact. energy: -0.062
local terms energy: -55.959454
where:
bonds (distance) C4'-P energy: -10.654
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: -5.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -75.226111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.226111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.226111 (E_RNA)
where:
Base-Base interactions energy: -33.462
where: short stacking energy: -28.397
Base-Backbone interact. energy: -0.111
local terms energy: -41.652846
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -12.027
flat angles C4'-P-C4' energy: -8.798
flat angles P-C4'-P energy: -7.304
tors. eta vs tors. theta energy: 1.350
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: 1, replica: 8
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -224.985262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.985262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.985262 (E_RNA)
where:
Base-Base interactions energy: -145.448
where: short stacking energy: -74.261
Base-Backbone interact. energy: -0.003
local terms energy: -79.533970
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -17.472
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -20.265
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: 2
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -210.112607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.112607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.112607 (E_RNA)
where:
Base-Base interactions energy: -130.709
where: short stacking energy: -67.325
Base-Backbone interact. energy: -0.029
local terms energy: -79.374330
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -16.692
flat angles C4'-P-C4' energy: -15.737
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -19.813
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: 6
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -230.102975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.102975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.102975 (E_RNA)
where:
Base-Base interactions energy: -150.474
where: short stacking energy: -75.311
Base-Backbone interact. energy: -0.663
local terms energy: -78.965241
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -15.852
flat angles C4'-P-C4' energy: -17.673
flat angles P-C4'-P energy: -12.478
tors. eta vs tors. theta energy: -21.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -215.043249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.043249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.043249 (E_RNA)
where:
Base-Base interactions energy: -152.052
where: short stacking energy: -73.949
Base-Backbone interact. energy: -0.045
local terms energy: -62.946341
where:
bonds (distance) C4'-P energy: -10.866
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -9.208
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: -19.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -212.531239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.531239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.531239 (E_RNA)
where:
Base-Base interactions energy: -142.176
where: short stacking energy: -70.613
Base-Backbone interact. energy: -0.001
local terms energy: -70.354273
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -13.929
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -16.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -174.299923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.299923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.299923 (E_RNA)
where:
Base-Base interactions energy: -107.399
where: short stacking energy: -56.372
Base-Backbone interact. energy: -0.230
local terms energy: -66.670936
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -7.976
tors. eta vs tors. theta energy: -12.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -203.778871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.778871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.778871 (E_RNA)
where:
Base-Base interactions energy: -134.778
where: short stacking energy: -66.446
Base-Backbone interact. energy: -0.045
local terms energy: -68.955776
where:
bonds (distance) C4'-P energy: -11.255
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -16.357
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -17.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -87.290436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.290436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.290436 (E_RNA)
where:
Base-Base interactions energy: -32.358
where: short stacking energy: -32.286
Base-Backbone interact. energy: -0.029
local terms energy: -54.903752
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -9.695
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -5.229
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: 9, replica: 5
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -77.053913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.053913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.053913 (E_RNA)
where:
Base-Base interactions energy: -29.899
where: short stacking energy: -28.643
Base-Backbone interact. energy: -0.410
local terms energy: -46.744146
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -3.175
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: -2.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -78.535894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.535894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.535894 (E_RNA)
where:
Base-Base interactions energy: -28.117
where: short stacking energy: -28.117
Base-Backbone interact. energy: -0.008
local terms energy: -50.410039
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -15.628
flat angles C4'-P-C4' energy: -11.781
flat angles P-C4'-P energy: -5.792
tors. eta vs tors. theta energy: -1.016
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: 8
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -222.434076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.434076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.434076 (E_RNA)
where:
Base-Base interactions energy: -143.955
where: short stacking energy: -73.427
Base-Backbone interact. energy: -0.510
local terms energy: -77.970029
where:
bonds (distance) C4'-P energy: -12.359
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -13.371
tors. eta vs tors. theta energy: -18.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -225.260339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.260339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.260339 (E_RNA)
where:
Base-Base interactions energy: -144.254
where: short stacking energy: -71.052
Base-Backbone interact. energy: -0.197
local terms energy: -80.809507
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -14.479
tors. eta vs tors. theta energy: -19.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -216.559871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.559871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.559871 (E_RNA)
where:
Base-Base interactions energy: -143.320
where: short stacking energy: -73.550
Base-Backbone interact. energy: -0.002
local terms energy: -73.238083
where:
bonds (distance) C4'-P energy: -11.230
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -14.032
tors. eta vs tors. theta energy: -22.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -216.669606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.669606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.669606 (E_RNA)
where:
Base-Base interactions energy: -139.641
where: short stacking energy: -69.626
Base-Backbone interact. energy: -0.982
local terms energy: -76.045980
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -12.443
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -12.747
tors. eta vs tors. theta energy: -19.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -220.558792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.558792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.558792 (E_RNA)
where:
Base-Base interactions energy: -150.870
where: short stacking energy: -70.682
Base-Backbone interact. energy: -0.490
local terms energy: -69.199281
where:
bonds (distance) C4'-P energy: -12.158
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -7.984
tors. eta vs tors. theta energy: -20.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -214.537387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.537387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.537387 (E_RNA)
where:
Base-Base interactions energy: -139.485
where: short stacking energy: -71.200
Base-Backbone interact. energy: -0.807
local terms energy: -74.245431
where:
bonds (distance) C4'-P energy: -8.766
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -16.984
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -22.376
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: 4
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -154.535265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.535265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.535265 (E_RNA)
where:
Base-Base interactions energy: -94.043
where: short stacking energy: -46.130
Base-Backbone interact. energy: -0.483
local terms energy: -60.009440
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -12.056
flat angles P-C4'-P energy: -12.072
tors. eta vs tors. theta energy: -9.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -91.700147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.700147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.700147 (E_RNA)
where:
Base-Base interactions energy: -49.170
where: short stacking energy: -27.160
Base-Backbone interact. energy: 1.409
local terms energy: -43.939333
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -10.073
flat angles P-C4'-P energy: -7.197
tors. eta vs tors. theta energy: 1.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -87.228736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.228736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.228736 (E_RNA)
where:
Base-Base interactions energy: -27.507
where: short stacking energy: -27.507
Base-Backbone interact. energy: -0.079
local terms energy: -59.643157
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -10.325
tors. eta vs tors. theta energy: -4.409
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: 1
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -87.589058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.589058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.589058 (E_RNA)
where:
Base-Base interactions energy: -29.608
where: short stacking energy: -25.072
Base-Backbone interact. energy: 0.359
local terms energy: -58.339600
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -1.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -227.617868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.617868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.617868 (E_RNA)
where:
Base-Base interactions energy: -145.549
where: short stacking energy: -71.915
Base-Backbone interact. energy: -0.589
local terms energy: -81.479624
where:
bonds (distance) C4'-P energy: -16.033
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -12.677
tors. eta vs tors. theta energy: -20.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -231.867461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.867461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.867461 (E_RNA)
where:
Base-Base interactions energy: -151.943
where: short stacking energy: -80.652
Base-Backbone interact. energy: -1.156
local terms energy: -78.768601
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -11.186
flat angles C4'-P-C4' energy: -18.027
flat angles P-C4'-P energy: -13.999
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: 3, replica: 7
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -221.294043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.294043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.294043 (E_RNA)
where:
Base-Base interactions energy: -144.293
where: short stacking energy: -66.844
Base-Backbone interact. energy: -0.001
local terms energy: -77.000241
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -19.128
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -19.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -210.240422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.240422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.240422 (E_RNA)
where:
Base-Base interactions energy: -135.565
where: short stacking energy: -69.244
Base-Backbone interact. energy: 2.276
local terms energy: -76.951064
where:
bonds (distance) C4'-P energy: -11.696
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -18.191
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -20.482
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: 10
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -193.714648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.714648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.714648 (E_RNA)
where:
Base-Base interactions energy: -120.427
where: short stacking energy: -54.212
Base-Backbone interact. energy: -0.442
local terms energy: -72.845977
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -10.913
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: 6, replica: 3
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -212.669371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.669371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.669371 (E_RNA)
where:
Base-Base interactions energy: -142.899
where: short stacking energy: -63.016
Base-Backbone interact. energy: -0.582
local terms energy: -69.188956
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -9.707
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -20.282
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: 7, replica: 4
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -162.354855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.354855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.354855 (E_RNA)
where:
Base-Base interactions energy: -98.468
where: short stacking energy: -50.077
Base-Backbone interact. energy: -0.876
local terms energy: -63.010459
where:
bonds (distance) C4'-P energy: -10.919
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -17.614
flat angles P-C4'-P energy: -8.227
tors. eta vs tors. theta energy: -9.875
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: 5
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -86.838542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.838542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.838542 (E_RNA)
where:
Base-Base interactions energy: -32.206
where: short stacking energy: -30.878
Base-Backbone interact. energy: -0.014
local terms energy: -54.618651
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -10.059
flat angles P-C4'-P energy: -7.593
tors. eta vs tors. theta energy: -6.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -95.557417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.557417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.557417 (E_RNA)
where:
Base-Base interactions energy: -51.277
where: short stacking energy: -34.092
Base-Backbone interact. energy: -0.131
local terms energy: -44.149379
where:
bonds (distance) C4'-P energy: -6.812
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -12.011
flat angles P-C4'-P energy: -4.949
tors. eta vs tors. theta energy: -4.451
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: 9
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -81.429948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.429948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.429948 (E_RNA)
where:
Base-Base interactions energy: -34.070
where: short stacking energy: -32.924
Base-Backbone interact. energy: -0.321
local terms energy: -47.038772
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -11.069
flat angles P-C4'-P energy: -4.907
tors. eta vs tors. theta energy: -2.809
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: 8
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -229.780017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.780017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.780017 (E_RNA)
where:
Base-Base interactions energy: -152.832
where: short stacking energy: -75.703
Base-Backbone interact. energy: -0.001
local terms energy: -76.947016
where:
bonds (distance) C4'-P energy: -17.601
bonds (distance) P-C4' energy: -16.701
flat angles C4'-P-C4' energy: -16.736
flat angles P-C4'-P energy: -7.763
tors. eta vs tors. theta energy: -18.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -222.669507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.669507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.669507 (E_RNA)
where:
Base-Base interactions energy: -143.511
where: short stacking energy: -69.384
Base-Backbone interact. energy: -0.030
local terms energy: -79.128146
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -20.924
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: 461
Temperature: 1.000000
Total energy: -225.611972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.611972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.611972 (E_RNA)
where:
Base-Base interactions energy: -150.413
where: short stacking energy: -73.285
Base-Backbone interact. energy: 0.830
local terms energy: -76.028933
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -19.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -214.678011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.678011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.678011 (E_RNA)
where:
Base-Base interactions energy: -138.948
where: short stacking energy: -69.695
Base-Backbone interact. energy: -1.754
local terms energy: -73.976105
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: -21.512
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: 10
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -193.862110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.862110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.862110 (E_RNA)
where:
Base-Base interactions energy: -129.889
where: short stacking energy: -63.731
Base-Backbone interact. energy: -0.001
local terms energy: -63.972005
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -12.829
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -4.546
tors. eta vs tors. theta energy: -19.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -188.812577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.812577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.812577 (E_RNA)
where:
Base-Base interactions energy: -117.647
where: short stacking energy: -66.022
Base-Backbone interact. energy: -0.001
local terms energy: -71.163905
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -8.949
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -12.097
tors. eta vs tors. theta energy: -21.539
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: 7, replica: 4
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -153.449856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.449856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.449856 (E_RNA)
where:
Base-Base interactions energy: -94.543
where: short stacking energy: -49.534
Base-Backbone interact. energy: -0.031
local terms energy: -58.875882
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -15.845
flat angles C4'-P-C4' energy: -10.443
flat angles P-C4'-P energy: -4.556
tors. eta vs tors. theta energy: -11.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -85.148950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.148950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.148950 (E_RNA)
where:
Base-Base interactions energy: -25.162
where: short stacking energy: -25.162
Base-Backbone interact. energy: 0.434
local terms energy: -60.420982
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -13.725
flat angles P-C4'-P energy: -8.879
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: 9, replica: 1
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -79.719739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.719739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.719739 (E_RNA)
where:
Base-Base interactions energy: -33.223
where: short stacking energy: -20.808
Base-Backbone interact. energy: -0.300
local terms energy: -46.196651
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -12.044
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: 3.798
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: 9
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -77.387379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.387379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.387379 (E_RNA)
where:
Base-Base interactions energy: -36.861
where: short stacking energy: -24.156
Base-Backbone interact. energy: -1.576
local terms energy: -38.950321
where:
bonds (distance) C4'-P energy: -9.409
bonds (distance) P-C4' energy: -12.841
flat angles C4'-P-C4' energy: -7.687
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: 0.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -227.429334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.429334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.429334 (E_RNA)
where:
Base-Base interactions energy: -147.406
where: short stacking energy: -76.473
Base-Backbone interact. energy: -0.025
local terms energy: -79.999031
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -18.099
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: -19.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -232.441387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.441387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.441387 (E_RNA)
where:
Base-Base interactions energy: -151.852
where: short stacking energy: -73.572
Base-Backbone interact. energy: -0.319
local terms energy: -80.269975
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -17.940
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -12.972
tors. eta vs tors. theta energy: -21.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -218.180647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.180647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.180647 (E_RNA)
where:
Base-Base interactions energy: -151.849
where: short stacking energy: -74.109
Base-Backbone interact. energy: -0.001
local terms energy: -66.330201
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -8.357
flat angles C4'-P-C4' energy: -15.674
flat angles P-C4'-P energy: -8.591
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: 4, replica: 2
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -215.026545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.026545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.026545 (E_RNA)
where:
Base-Base interactions energy: -139.331
where: short stacking energy: -63.644
Base-Backbone interact. energy: -0.724
local terms energy: -74.971539
where:
bonds (distance) C4'-P energy: -10.504
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -21.981
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: 5, replica: 3
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -214.620824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.620824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.620824 (E_RNA)
where:
Base-Base interactions energy: -143.657
where: short stacking energy: -70.512
Base-Backbone interact. energy: -0.575
local terms energy: -70.388459
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -12.083
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -19.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -187.585514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.585514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.585514 (E_RNA)
where:
Base-Base interactions energy: -122.236
where: short stacking energy: -60.374
Base-Backbone interact. energy: -0.842
local terms energy: -64.507170
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -6.545
tors. eta vs tors. theta energy: -16.561
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: 4
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -154.000502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.000502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.000502 (E_RNA)
where:
Base-Base interactions energy: -83.327
where: short stacking energy: -45.572
Base-Backbone interact. energy: -0.787
local terms energy: -69.886775
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -9.945
tors. eta vs tors. theta energy: -11.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -94.245749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.245749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.245749 (E_RNA)
where:
Base-Base interactions energy: -46.004
where: short stacking energy: -36.649
Base-Backbone interact. energy: -0.056
local terms energy: -48.186208
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -9.167
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -5.771
tors. eta vs tors. theta energy: -4.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -88.874947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.874947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.874947 (E_RNA)
where:
Base-Base interactions energy: -33.771
where: short stacking energy: -33.771
Base-Backbone interact. energy: -0.007
local terms energy: -55.097334
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -14.146
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: -7.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -76.040888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.040888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.040888 (E_RNA)
where:
Base-Base interactions energy: -38.981
where: short stacking energy: -30.184
Base-Backbone interact. energy: -0.458
local terms energy: -36.602722
where:
bonds (distance) C4'-P energy: -4.875
bonds (distance) P-C4' energy: -12.496
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -3.668
tors. eta vs tors. theta energy: -1.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -229.971969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.971969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.971969 (E_RNA)
where:
Base-Base interactions energy: -147.646
where: short stacking energy: -71.034
Base-Backbone interact. energy: -0.229
local terms energy: -82.096885
where:
bonds (distance) C4'-P energy: -16.363
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -17.938
flat angles P-C4'-P energy: -10.951
tors. eta vs tors. theta energy: -22.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -240.027788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.027788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.027788 (E_RNA)
where:
Base-Base interactions energy: -159.023
where: short stacking energy: -76.762
Base-Backbone interact. energy: -0.077
local terms energy: -80.927208
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -15.726
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -22.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -221.191305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.191305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.191305 (E_RNA)
where:
Base-Base interactions energy: -143.657
where: short stacking energy: -69.571
Base-Backbone interact. energy: 0.599
local terms energy: -78.133894
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -14.791
flat angles C4'-P-C4' energy: -17.176
flat angles P-C4'-P energy: -14.356
tors. eta vs tors. theta energy: -19.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -220.430842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.430842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.430842 (E_RNA)
where:
Base-Base interactions energy: -144.418
where: short stacking energy: -70.572
Base-Backbone interact. energy: -0.018
local terms energy: -75.994863
where:
bonds (distance) C4'-P energy: -12.949
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -8.535
tors. eta vs tors. theta energy: -20.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -208.014734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.014734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.014734 (E_RNA)
where:
Base-Base interactions energy: -132.347
where: short stacking energy: -68.484
Base-Backbone interact. energy: -0.084
local terms energy: -75.584155
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -11.903
tors. eta vs tors. theta energy: -20.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -174.167290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.167290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.167290 (E_RNA)
where:
Base-Base interactions energy: -115.046
where: short stacking energy: -48.881
Base-Backbone interact. energy: -0.081
local terms energy: -59.040880
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -9.048
flat angles C4'-P-C4' energy: -12.105
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: -15.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -192.028952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.028952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.028952 (E_RNA)
where:
Base-Base interactions energy: -127.029
where: short stacking energy: -57.618
Base-Backbone interact. energy: -0.343
local terms energy: -64.657109
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -12.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -88.640302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.640302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.640302 (E_RNA)
where:
Base-Base interactions energy: -50.987
where: short stacking energy: -37.747
Base-Backbone interact. energy: -0.134
local terms energy: -37.519662
where:
bonds (distance) C4'-P energy: -7.657
bonds (distance) P-C4' energy: -8.699
flat angles C4'-P-C4' energy: -9.927
flat angles P-C4'-P energy: -6.766
tors. eta vs tors. theta energy: -4.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -73.182094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.182094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.182094 (E_RNA)
where:
Base-Base interactions energy: -28.095
where: short stacking energy: -25.141
Base-Backbone interact. energy: -0.289
local terms energy: -44.798097
where:
bonds (distance) C4'-P energy: -11.746
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -11.459
flat angles P-C4'-P energy: -6.098
tors. eta vs tors. theta energy: -0.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -73.502833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.502833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.502833 (E_RNA)
where:
Base-Base interactions energy: -29.008
where: short stacking energy: -25.861
Base-Backbone interact. energy: 0.394
local terms energy: -44.888829
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -10.373
flat angles C4'-P-C4' energy: -9.880
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -0.621
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: 1, replica: 6
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -238.876990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.876990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.876990 (E_RNA)
where:
Base-Base interactions energy: -154.675
where: short stacking energy: -73.585
Base-Backbone interact. energy: -0.343
local terms energy: -83.858965
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -22.130
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: 7
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -221.048873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.048873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.048873 (E_RNA)
where:
Base-Base interactions energy: -141.829
where: short stacking energy: -72.956
Base-Backbone interact. energy: -0.591
local terms energy: -78.628741
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -18.414
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: 8
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -219.240948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.240948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.240948 (E_RNA)
where:
Base-Base interactions energy: -147.260
where: short stacking energy: -65.285
Base-Backbone interact. energy: -0.022
local terms energy: -71.958790
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -19.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -219.365257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.365257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.365257 (E_RNA)
where:
Base-Base interactions energy: -139.431
where: short stacking energy: -69.442
Base-Backbone interact. energy: -0.001
local terms energy: -79.932510
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -18.206
flat angles P-C4'-P energy: -8.175
tors. eta vs tors. theta energy: -20.543
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: 5, replica: 3
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -198.244465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.244465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.244465 (E_RNA)
where:
Base-Base interactions energy: -133.643
where: short stacking energy: -63.158
Base-Backbone interact. energy: -0.037
local terms energy: -64.563775
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -13.574
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -12.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -166.588909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.588909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.588909 (E_RNA)
where:
Base-Base interactions energy: -105.505
where: short stacking energy: -54.466
Base-Backbone interact. energy: 1.706
local terms energy: -62.790149
where:
bonds (distance) C4'-P energy: -14.895
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -6.054
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: 7, replica: 10
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -187.126764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.126764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.126764 (E_RNA)
where:
Base-Base interactions energy: -115.492
where: short stacking energy: -52.093
Base-Backbone interact. energy: -0.001
local terms energy: -71.634166
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -17.801
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -15.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -87.875262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.875262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.875262 (E_RNA)
where:
Base-Base interactions energy: -34.664
where: short stacking energy: -30.062
Base-Backbone interact. energy: 0.078
local terms energy: -53.289248
where:
bonds (distance) C4'-P energy: -9.864
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -17.693
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: -0.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -93.309434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.309434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.309434 (E_RNA)
where:
Base-Base interactions energy: -39.288
where: short stacking energy: -39.288
Base-Backbone interact. energy: 0.122
local terms energy: -54.143733
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -5.039
tors. eta vs tors. theta energy: -6.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -77.994570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.994570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.994570 (E_RNA)
where:
Base-Base interactions energy: -38.094
where: short stacking energy: -31.361
Base-Backbone interact. energy: -0.099
local terms energy: -39.801712
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -12.115
flat angles C4'-P-C4' energy: -4.646
flat angles P-C4'-P energy: -7.568
tors. eta vs tors. theta energy: -1.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -229.313740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.313740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.313740 (E_RNA)
where:
Base-Base interactions energy: -148.220
where: short stacking energy: -78.547
Base-Backbone interact. energy: -0.253
local terms energy: -80.840329
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -12.439
tors. eta vs tors. theta energy: -22.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -222.958959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.958959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.958959 (E_RNA)
where:
Base-Base interactions energy: -146.600
where: short stacking energy: -70.455
Base-Backbone interact. energy: -0.001
local terms energy: -76.357639
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -14.002
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -14.604
tors. eta vs tors. theta energy: -19.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -220.752050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.752050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.752050 (E_RNA)
where:
Base-Base interactions energy: -139.323
where: short stacking energy: -58.316
Base-Backbone interact. energy: -0.332
local terms energy: -81.097737
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -15.628
flat angles C4'-P-C4' energy: -18.402
flat angles P-C4'-P energy: -12.536
tors. eta vs tors. theta energy: -20.243
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: 2
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -218.887457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.887457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.887457 (E_RNA)
where:
Base-Base interactions energy: -141.822
where: short stacking energy: -68.238
Base-Backbone interact. energy: -0.223
local terms energy: -76.842456
where:
bonds (distance) C4'-P energy: -16.934
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -19.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -213.684480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.684480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.684480 (E_RNA)
where:
Base-Base interactions energy: -141.771
where: short stacking energy: -65.054
Base-Backbone interact. energy: -0.300
local terms energy: -71.613993
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -8.805
tors. eta vs tors. theta energy: -14.943
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: 10
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -209.186099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.186099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.186099 (E_RNA)
where:
Base-Base interactions energy: -134.949
where: short stacking energy: -65.133
Base-Backbone interact. energy: -0.000
local terms energy: -74.236847
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -12.355
tors. eta vs tors. theta energy: -20.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -151.400216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.400216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.400216 (E_RNA)
where:
Base-Base interactions energy: -84.772
where: short stacking energy: -49.843
Base-Backbone interact. energy: -0.598
local terms energy: -66.030919
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -11.236
tors. eta vs tors. theta energy: -13.370
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: 8, replica: 1
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -82.787364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.787364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.787364 (E_RNA)
where:
Base-Base interactions energy: -33.667
where: short stacking energy: -19.519
Base-Backbone interact. energy: 1.189
local terms energy: -50.309631
where:
bonds (distance) C4'-P energy: -16.019
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -12.037
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: 2.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -110.823742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.823742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.823742 (E_RNA)
where:
Base-Base interactions energy: -41.448
where: short stacking energy: -37.596
Base-Backbone interact. energy: -0.087
local terms energy: -69.288327
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -17.037
flat angles P-C4'-P energy: -15.227
tors. eta vs tors. theta energy: -9.599
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: 10, replica: 9
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -72.033059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.033059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.033059 (E_RNA)
where:
Base-Base interactions energy: -33.964
where: short stacking energy: -31.109
Base-Backbone interact. energy: 3.938
local terms energy: -42.006947
where:
bonds (distance) C4'-P energy: -11.055
bonds (distance) P-C4' energy: -9.413
flat angles C4'-P-C4' energy: -11.651
flat angles P-C4'-P energy: -6.595
tors. eta vs tors. theta energy: -3.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -234.737166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.737166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.737166 (E_RNA)
where:
Base-Base interactions energy: -153.759
where: short stacking energy: -71.150
Base-Backbone interact. energy: -0.008
local terms energy: -80.969451
where:
bonds (distance) C4'-P energy: -16.643
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -12.050
tors. eta vs tors. theta energy: -18.929
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: 2, replica: 6
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -223.202660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.202660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.202660 (E_RNA)
where:
Base-Base interactions energy: -149.053
where: short stacking energy: -70.490
Base-Backbone interact. energy: -0.591
local terms energy: -73.558550
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -19.702
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: 3, replica: 8
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -224.532768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.532768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.532768 (E_RNA)
where:
Base-Base interactions energy: -144.763
where: short stacking energy: -73.320
Base-Backbone interact. energy: -0.023
local terms energy: -79.746213
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -16.340
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -20.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -224.952472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.952472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.952472 (E_RNA)
where:
Base-Base interactions energy: -147.428
where: short stacking energy: -73.893
Base-Backbone interact. energy: -0.217
local terms energy: -77.307582
where:
bonds (distance) C4'-P energy: -10.787
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -11.800
tors. eta vs tors. theta energy: -19.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -202.721596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.721596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.721596 (E_RNA)
where:
Base-Base interactions energy: -133.796
where: short stacking energy: -58.055
Base-Backbone interact. energy: -0.148
local terms energy: -68.778147
where:
bonds (distance) C4'-P energy: -10.479
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -16.591
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: 466
Temperature: 1.150000
Total energy: -207.732956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.732956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.732956 (E_RNA)
where:
Base-Base interactions energy: -129.401
where: short stacking energy: -59.570
Base-Backbone interact. energy: -0.007
local terms energy: -78.325466
where:
bonds (distance) C4'-P energy: -15.513
bonds (distance) P-C4' energy: -16.902
flat angles C4'-P-C4' energy: -15.773
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: -21.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -178.637756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.637756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.637756 (E_RNA)
where:
Base-Base interactions energy: -116.650
where: short stacking energy: -54.594
Base-Backbone interact. energy: -0.278
local terms energy: -61.709605
where:
bonds (distance) C4'-P energy: -7.937
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -9.093
tors. eta vs tors. theta energy: -14.370
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: 8, replica: 1
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -94.733704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.733704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.733704 (E_RNA)
where:
Base-Base interactions energy: -36.553
where: short stacking energy: -26.599
Base-Backbone interact. energy: 2.494
local terms energy: -60.675046
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -12.029
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -5.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -88.168896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.168896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.168896 (E_RNA)
where:
Base-Base interactions energy: -30.541
where: short stacking energy: -30.541
Base-Backbone interact. energy: -0.203
local terms energy: -57.424703
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -12.970
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -4.328
tors. eta vs tors. theta energy: -9.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -77.241017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.241017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.241017 (E_RNA)
where:
Base-Base interactions energy: -33.643
where: short stacking energy: -26.206
Base-Backbone interact. energy: -0.952
local terms energy: -42.646110
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -11.857
flat angles C4'-P-C4' energy: -9.259
flat angles P-C4'-P energy: -5.478
tors. eta vs tors. theta energy: -2.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -226.788083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.788083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.788083 (E_RNA)
where:
Base-Base interactions energy: -149.192
where: short stacking energy: -69.604
Base-Backbone interact. energy: -0.017
local terms energy: -77.579294
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -14.564
tors. eta vs tors. theta energy: -16.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -226.388758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.388758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.388758 (E_RNA)
where:
Base-Base interactions energy: -147.613
where: short stacking energy: -75.089
Base-Backbone interact. energy: -0.312
local terms energy: -78.462968
where:
bonds (distance) C4'-P energy: -11.700
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: -23.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -207.252776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.252776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.252776 (E_RNA)
where:
Base-Base interactions energy: -131.522
where: short stacking energy: -70.213
Base-Backbone interact. energy: -0.006
local terms energy: -75.724757
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -18.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -217.805842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.805842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.805842 (E_RNA)
where:
Base-Base interactions energy: -138.168
where: short stacking energy: -75.578
Base-Backbone interact. energy: -0.931
local terms energy: -78.707096
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -22.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -210.077358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.077358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.077358 (E_RNA)
where:
Base-Base interactions energy: -139.889
where: short stacking energy: -66.774
Base-Backbone interact. energy: -0.679
local terms energy: -69.509796
where:
bonds (distance) C4'-P energy: -8.902
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -17.505
flat angles P-C4'-P energy: -8.423
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: 6, replica: 3
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -203.491362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.491362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.491362 (E_RNA)
where:
Base-Base interactions energy: -143.961
where: short stacking energy: -65.518
Base-Backbone interact. energy: -0.004
local terms energy: -59.526608
where:
bonds (distance) C4'-P energy: -3.389
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -18.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -146.871510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.871510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.871510 (E_RNA)
where:
Base-Base interactions energy: -87.486
where: short stacking energy: -44.214
Base-Backbone interact. energy: -0.062
local terms energy: -59.323726
where:
bonds (distance) C4'-P energy: -9.548
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -8.625
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: 8, replica: 5
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -84.331862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.331862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.331862 (E_RNA)
where:
Base-Base interactions energy: -33.605
where: short stacking energy: -28.979
Base-Backbone interact. energy: -0.471
local terms energy: -50.255456
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -15.890
flat angles C4'-P-C4' energy: -10.299
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: 0.248
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: 1
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -99.981356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.981356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.981356 (E_RNA)
where:
Base-Base interactions energy: -49.168
where: short stacking energy: -39.653
Base-Backbone interact. energy: -0.167
local terms energy: -50.646553
where:
bonds (distance) C4'-P energy: -10.874
bonds (distance) P-C4' energy: -6.549
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -9.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -80.061439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.061439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.061439 (E_RNA)
where:
Base-Base interactions energy: -38.316
where: short stacking energy: -33.503
Base-Backbone interact. energy: -2.312
local terms energy: -39.432941
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -11.349
flat angles C4'-P-C4' energy: -3.508
flat angles P-C4'-P energy: -7.123
tors. eta vs tors. theta energy: -5.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -231.512181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.512181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.512181 (E_RNA)
where:
Base-Base interactions energy: -151.427
where: short stacking energy: -77.500
Base-Backbone interact. energy: -0.006
local terms energy: -80.079060
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -17.250
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: -19.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -228.320805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.320805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.320805 (E_RNA)
where:
Base-Base interactions energy: -152.655
where: short stacking energy: -75.543
Base-Backbone interact. energy: -0.068
local terms energy: -75.597370
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -17.540
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -15.699
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: 6
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -218.058820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.058820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.058820 (E_RNA)
where:
Base-Base interactions energy: -146.300
where: short stacking energy: -67.089
Base-Backbone interact. energy: -0.019
local terms energy: -71.739387
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -14.003
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -7.620
tors. eta vs tors. theta energy: -18.734
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: 4, replica: 2
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -211.649432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.649432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.649432 (E_RNA)
where:
Base-Base interactions energy: -135.518
where: short stacking energy: -63.496
Base-Backbone interact. energy: -0.671
local terms energy: -75.460124
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -11.667
tors. eta vs tors. theta energy: -16.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -202.884092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.884092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.884092 (E_RNA)
where:
Base-Base interactions energy: -131.888
where: short stacking energy: -59.982
Base-Backbone interact. energy: -0.008
local terms energy: -70.988086
where:
bonds (distance) C4'-P energy: -12.437
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -17.584
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: 468
Temperature: 1.150000
Total energy: -205.060990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.060990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.060990 (E_RNA)
where:
Base-Base interactions energy: -135.725
where: short stacking energy: -64.439
Base-Backbone interact. energy: -0.130
local terms energy: -69.205718
where:
bonds (distance) C4'-P energy: -11.088
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -19.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -167.893443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.893443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.893443 (E_RNA)
where:
Base-Base interactions energy: -106.395
where: short stacking energy: -51.419
Base-Backbone interact. energy: -0.215
local terms energy: -61.284062
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -9.767
flat angles P-C4'-P energy: -12.178
tors. eta vs tors. theta energy: -12.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -75.607953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.607953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.607953 (E_RNA)
where:
Base-Base interactions energy: -27.028
where: short stacking energy: -23.878
Base-Backbone interact. energy: 1.222
local terms energy: -49.801803
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -13.443
flat angles C4'-P-C4' energy: -13.198
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -1.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -79.903157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.903157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.903157 (E_RNA)
where:
Base-Base interactions energy: -24.014
where: short stacking energy: -24.414
Base-Backbone interact. energy: 0.487
local terms energy: -56.376583
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -11.879
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -7.271
tors. eta vs tors. theta energy: -6.318
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: 9
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -82.252054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.252054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.252054 (E_RNA)
where:
Base-Base interactions energy: -32.576
where: short stacking energy: -29.399
Base-Backbone interact. energy: -0.104
local terms energy: -49.571593
where:
bonds (distance) C4'-P energy: -7.264
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: -6.823
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: 8
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -229.719867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.719867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.719867 (E_RNA)
where:
Base-Base interactions energy: -146.948
where: short stacking energy: -65.726
Base-Backbone interact. energy: 0.411
local terms energy: -83.182928
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -13.907
tors. eta vs tors. theta energy: -19.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -224.506108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.506108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.506108 (E_RNA)
where:
Base-Base interactions energy: -144.364
where: short stacking energy: -76.202
Base-Backbone interact. energy: -2.806
local terms energy: -77.335683
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -11.227
flat angles C4'-P-C4' energy: -17.476
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -21.501
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: 7
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -223.059832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.059832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.059832 (E_RNA)
where:
Base-Base interactions energy: -144.188
where: short stacking energy: -73.362
Base-Backbone interact. energy: -0.009
local terms energy: -78.863109
where:
bonds (distance) C4'-P energy: -11.524
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -16.261
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -22.717
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: 4, replica: 10
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -215.115467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.115467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.115467 (E_RNA)
where:
Base-Base interactions energy: -146.499
where: short stacking energy: -58.815
Base-Backbone interact. energy: -0.220
local terms energy: -68.396445
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -6.489
tors. eta vs tors. theta energy: -17.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -211.089661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.089661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.089661 (E_RNA)
where:
Base-Base interactions energy: -141.467
where: short stacking energy: -64.169
Base-Backbone interact. energy: -0.294
local terms energy: -69.328827
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -12.686
flat angles C4'-P-C4' energy: -12.202
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -20.700
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: 6, replica: 3
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -192.066827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.066827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.066827 (E_RNA)
where:
Base-Base interactions energy: -119.960
where: short stacking energy: -59.891
Base-Backbone interact. energy: -0.061
local terms energy: -72.046444
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -14.512
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: 4
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -166.181616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.181616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.181616 (E_RNA)
where:
Base-Base interactions energy: -104.194
where: short stacking energy: -56.090
Base-Backbone interact. energy: -1.680
local terms energy: -60.307213
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -8.199
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -13.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -93.606796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.606796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.606796 (E_RNA)
where:
Base-Base interactions energy: -50.747
where: short stacking energy: -30.933
Base-Backbone interact. energy: -1.196
local terms energy: -41.664107
where:
bonds (distance) C4'-P energy: -8.344
bonds (distance) P-C4' energy: -10.189
flat angles C4'-P-C4' energy: -11.216
flat angles P-C4'-P energy: -8.896
tors. eta vs tors. theta energy: -3.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -77.146964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.146964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.146964 (E_RNA)
where:
Base-Base interactions energy: -28.717
where: short stacking energy: -26.443
Base-Backbone interact. energy: -0.130
local terms energy: -48.300278
where:
bonds (distance) C4'-P energy: -8.932
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -7.574
tors. eta vs tors. theta energy: 0.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -76.848985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.848985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.848985 (E_RNA)
where:
Base-Base interactions energy: -32.481
where: short stacking energy: -31.191
Base-Backbone interact. energy: -0.006
local terms energy: -44.361796
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -7.509
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -3.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -226.374137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.374137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.374137 (E_RNA)
where:
Base-Base interactions energy: -152.925
where: short stacking energy: -66.145
Base-Backbone interact. energy: -0.006
local terms energy: -73.442661
where:
bonds (distance) C4'-P energy: -11.097
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -7.364
tors. eta vs tors. theta energy: -20.825
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: 6
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -228.824761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.824761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.824761 (E_RNA)
where:
Base-Base interactions energy: -148.576
where: short stacking energy: -77.733
Base-Backbone interact. energy: -0.035
local terms energy: -80.213786
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -17.926
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -22.984
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: 3, replica: 10
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -225.408165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.408165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.408165 (E_RNA)
where:
Base-Base interactions energy: -149.602
where: short stacking energy: -72.912
Base-Backbone interact. energy: -0.165
local terms energy: -75.641755
where:
bonds (distance) C4'-P energy: -12.416
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -13.124
tors. eta vs tors. theta energy: -20.328
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: 7
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -229.419794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.419794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.419794 (E_RNA)
where:
Base-Base interactions energy: -152.262
where: short stacking energy: -74.581
Base-Backbone interact. energy: -1.772
local terms energy: -75.385654
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -13.401
flat angles C4'-P-C4' energy: -16.344
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -20.476
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: 2
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -212.641220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.641220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.641220 (E_RNA)
where:
Base-Base interactions energy: -140.543
where: short stacking energy: -72.908
Base-Backbone interact. energy: -0.588
local terms energy: -71.509336
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -13.406
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -8.731
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: 6, replica: 3
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -182.775885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.775885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.775885 (E_RNA)
where:
Base-Base interactions energy: -120.237
where: short stacking energy: -48.289
Base-Backbone interact. energy: -0.616
local terms energy: -61.923165
where:
bonds (distance) C4'-P energy: -12.187
bonds (distance) P-C4' energy: -11.296
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -14.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -157.073144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.073144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.073144 (E_RNA)
where:
Base-Base interactions energy: -99.748
where: short stacking energy: -45.130
Base-Backbone interact. energy: -0.097
local terms energy: -57.227452
where:
bonds (distance) C4'-P energy: -3.363
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -12.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -85.760137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.760137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.760137 (E_RNA)
where:
Base-Base interactions energy: -37.248
where: short stacking energy: -29.344
Base-Backbone interact. energy: -0.105
local terms energy: -48.407822
where:
bonds (distance) C4'-P energy: -15.822
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -11.554
flat angles P-C4'-P energy: -6.249
tors. eta vs tors. theta energy: 0.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -79.863646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.863646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.863646 (E_RNA)
where:
Base-Base interactions energy: -32.673
where: short stacking energy: -28.758
Base-Backbone interact. energy: 0.184
local terms energy: -47.375549
where:
bonds (distance) C4'-P energy: -5.833
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -12.214
tors. eta vs tors. theta energy: -0.935
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: 5
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -80.742382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.742382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.742382 (E_RNA)
where:
Base-Base interactions energy: -34.015
where: short stacking energy: -24.715
Base-Backbone interact. energy: -0.326
local terms energy: -46.401612
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -5.728
tors. eta vs tors. theta energy: -0.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -231.923412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.923412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.923412 (E_RNA)
where:
Base-Base interactions energy: -157.141
where: short stacking energy: -73.697
Base-Backbone interact. energy: -0.024
local terms energy: -74.758595
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -17.587
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -17.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -230.219567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.219567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.219567 (E_RNA)
where:
Base-Base interactions energy: -149.671
where: short stacking energy: -78.892
Base-Backbone interact. energy: -1.227
local terms energy: -79.321767
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -11.537
tors. eta vs tors. theta energy: -23.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -233.390109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.390109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.390109 (E_RNA)
where:
Base-Base interactions energy: -151.441
where: short stacking energy: -69.542
Base-Backbone interact. energy: -0.001
local terms energy: -81.948231
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -18.543
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -21.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -215.894368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.894368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.894368 (E_RNA)
where:
Base-Base interactions energy: -144.089
where: short stacking energy: -73.344
Base-Backbone interact. energy: -0.267
local terms energy: -71.538270
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -19.060
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: 7
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -213.836666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.836666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.836666 (E_RNA)
where:
Base-Base interactions energy: -144.739
where: short stacking energy: -75.183
Base-Backbone interact. energy: -0.094
local terms energy: -69.004009
where:
bonds (distance) C4'-P energy: -12.705
bonds (distance) P-C4' energy: -10.022
flat angles C4'-P-C4' energy: -17.536
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -18.947
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: 4
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -182.835014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.835014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.835014 (E_RNA)
where:
Base-Base interactions energy: -115.670
where: short stacking energy: -60.493
Base-Backbone interact. energy: -0.017
local terms energy: -67.147817
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -15.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -205.061532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.061532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.061532 (E_RNA)
where:
Base-Base interactions energy: -128.935
where: short stacking energy: -62.908
Base-Backbone interact. energy: -0.015
local terms energy: -76.112056
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -16.905
flat angles C4'-P-C4' energy: -16.701
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -19.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -87.620712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.620712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.620712 (E_RNA)
where:
Base-Base interactions energy: -34.799
where: short stacking energy: -34.799
Base-Backbone interact. energy: -0.130
local terms energy: -52.691738
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -5.518
tors. eta vs tors. theta energy: -1.659
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: 1
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -87.412710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.412710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.412710 (E_RNA)
where:
Base-Base interactions energy: -35.156
where: short stacking energy: -28.302
Base-Backbone interact. energy: -0.165
local terms energy: -52.091350
where:
bonds (distance) C4'-P energy: -10.746
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -5.779
tors. eta vs tors. theta energy: -6.302
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: 5
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -75.895648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.895648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.895648 (E_RNA)
where:
Base-Base interactions energy: -31.237
where: short stacking energy: -26.748
Base-Backbone interact. energy: -0.117
local terms energy: -44.540968
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -11.606
flat angles C4'-P-C4' energy: -10.323
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -0.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -234.863647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.863647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.863647 (E_RNA)
where:
Base-Base interactions energy: -156.266
where: short stacking energy: -70.756
Base-Backbone interact. energy: -0.005
local terms energy: -78.592785
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -12.480
flat angles C4'-P-C4' energy: -17.750
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -21.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -221.598067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.598067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.598067 (E_RNA)
where:
Base-Base interactions energy: -150.063
where: short stacking energy: -72.811
Base-Backbone interact. energy: -0.031
local terms energy: -71.504217
where:
bonds (distance) C4'-P energy: -9.834
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -16.776
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: -19.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -224.394538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.394538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.394538 (E_RNA)
where:
Base-Base interactions energy: -144.813
where: short stacking energy: -75.352
Base-Backbone interact. energy: -0.003
local terms energy: -79.577771
where:
bonds (distance) C4'-P energy: -11.068
bonds (distance) P-C4' energy: -15.608
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -13.388
tors. eta vs tors. theta energy: -23.938
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: 6
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -218.766595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.766595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.766595 (E_RNA)
where:
Base-Base interactions energy: -141.751
where: short stacking energy: -70.223
Base-Backbone interact. energy: -0.017
local terms energy: -76.997908
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -18.711
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: 7
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -199.460949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.460949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.460949 (E_RNA)
where:
Base-Base interactions energy: -135.018
where: short stacking energy: -62.047
Base-Backbone interact. energy: -0.160
local terms energy: -64.282884
where:
bonds (distance) C4'-P energy: -12.043
bonds (distance) P-C4' energy: -14.900
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -7.162
tors. eta vs tors. theta energy: -14.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -188.917591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.917591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.917591 (E_RNA)
where:
Base-Base interactions energy: -115.948
where: short stacking energy: -61.083
Base-Backbone interact. energy: -0.145
local terms energy: -72.825030
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: -21.805
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: 472
Temperature: 1.200000
Total energy: -178.375019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.375019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.375019 (E_RNA)
where:
Base-Base interactions energy: -113.992
where: short stacking energy: -45.819
Base-Backbone interact. energy: -0.245
local terms energy: -64.137931
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -14.366
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -6.337
tors. eta vs tors. theta energy: -14.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -86.787650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.787650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.787650 (E_RNA)
where:
Base-Base interactions energy: -28.656
where: short stacking energy: -28.489
Base-Backbone interact. energy: 0.171
local terms energy: -58.302622
where:
bonds (distance) C4'-P energy: -9.598
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -12.769
tors. eta vs tors. theta energy: -6.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -72.182031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.182031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.182031 (E_RNA)
where:
Base-Base interactions energy: -30.191
where: short stacking energy: -27.729
Base-Backbone interact. energy: 1.225
local terms energy: -43.215887
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -3.540
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -1.410
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: 1
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -77.852313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.852313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.852313 (E_RNA)
where:
Base-Base interactions energy: -26.221
where: short stacking energy: -23.924
Base-Backbone interact. energy: 0.635
local terms energy: -52.265687
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -11.053
flat angles P-C4'-P energy: -7.933
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: 473
Temperature: 0.900000
Total energy: -235.075980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.075980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.075980 (E_RNA)
where:
Base-Base interactions energy: -150.667
where: short stacking energy: -72.496
Base-Backbone interact. energy: -1.854
local terms energy: -82.555485
where:
bonds (distance) C4'-P energy: -15.582
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -13.436
tors. eta vs tors. theta energy: -22.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -232.315607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.315607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.315607 (E_RNA)
where:
Base-Base interactions energy: -150.843
where: short stacking energy: -78.198
Base-Backbone interact. energy: -0.280
local terms energy: -81.192024
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -12.606
tors. eta vs tors. theta energy: -20.717
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: 10
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -223.415421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.415421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.415421 (E_RNA)
where:
Base-Base interactions energy: -149.793
where: short stacking energy: -73.822
Base-Backbone interact. energy: -0.604
local terms energy: -73.018469
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -15.302
flat angles C4'-P-C4' energy: -17.767
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -18.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -211.327439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.327439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.327439 (E_RNA)
where:
Base-Base interactions energy: -143.194
where: short stacking energy: -59.768
Base-Backbone interact. energy: -0.238
local terms energy: -67.895405
where:
bonds (distance) C4'-P energy: -9.454
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -10.975
tors. eta vs tors. theta energy: -16.022
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: 6
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -207.340728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.340728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.340728 (E_RNA)
where:
Base-Base interactions energy: -135.057
where: short stacking energy: -66.316
Base-Backbone interact. energy: -0.096
local terms energy: -72.188489
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -13.810
flat angles C4'-P-C4' energy: -17.651
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: -17.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -175.638991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.638991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.638991 (E_RNA)
where:
Base-Base interactions energy: -112.214
where: short stacking energy: -51.395
Base-Backbone interact. energy: -0.054
local terms energy: -63.371069
where:
bonds (distance) C4'-P energy: -10.273
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -11.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -159.193860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.193860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.193860 (E_RNA)
where:
Base-Base interactions energy: -94.199
where: short stacking energy: -42.351
Base-Backbone interact. energy: -1.108
local terms energy: -63.887072
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -12.244
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -7.646
tors. eta vs tors. theta energy: -14.906
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: 8, replica: 5
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -85.064474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.064474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.064474 (E_RNA)
where:
Base-Base interactions energy: -33.301
where: short stacking energy: -25.956
Base-Backbone interact. energy: -0.338
local terms energy: -51.425880
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -10.748
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -7.941
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: 9, replica: 9
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -91.064475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.064475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.064475 (E_RNA)
where:
Base-Base interactions energy: -47.549
where: short stacking energy: -33.536
Base-Backbone interact. energy: -0.204
local terms energy: -43.311364
where:
bonds (distance) C4'-P energy: -8.792
bonds (distance) P-C4' energy: -8.813
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -1.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -73.713391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.713391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.713391 (E_RNA)
where:
Base-Base interactions energy: -32.732
where: short stacking energy: -32.732
Base-Backbone interact. energy: -0.027
local terms energy: -40.954676
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -7.314
flat angles C4'-P-C4' energy: -10.766
flat angles P-C4'-P energy: -1.733
tors. eta vs tors. theta energy: -5.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -230.264905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.264905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.264905 (E_RNA)
where:
Base-Base interactions energy: -154.568
where: short stacking energy: -74.869
Base-Backbone interact. energy: -0.000
local terms energy: -75.696861
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -12.508
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -12.727
tors. eta vs tors. theta energy: -22.234
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: 2, replica: 8
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -226.840789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.840789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.840789 (E_RNA)
where:
Base-Base interactions energy: -150.636
where: short stacking energy: -69.620
Base-Backbone interact. energy: -0.429
local terms energy: -75.776301
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -12.350
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -21.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -200.001123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.001123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.001123 (E_RNA)
where:
Base-Base interactions energy: -133.501
where: short stacking energy: -63.402
Base-Backbone interact. energy: -0.066
local terms energy: -66.434590
where:
bonds (distance) C4'-P energy: -8.584
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -16.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -198.050487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.050487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.050487 (E_RNA)
where:
Base-Base interactions energy: -122.957
where: short stacking energy: -59.111
Base-Backbone interact. energy: -0.109
local terms energy: -74.983980
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -14.553
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: 474
Temperature: 1.100000
Total energy: -196.517890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.517890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.517890 (E_RNA)
where:
Base-Base interactions energy: -130.806
where: short stacking energy: -66.706
Base-Backbone interact. energy: -0.133
local terms energy: -65.579028
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -13.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -177.245934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.245934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.245934 (E_RNA)
where:
Base-Base interactions energy: -114.527
where: short stacking energy: -60.071
Base-Backbone interact. energy: -0.712
local terms energy: -62.007483
where:
bonds (distance) C4'-P energy: -11.417
bonds (distance) P-C4' energy: -14.031
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -10.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -138.815594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.815594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.815594 (E_RNA)
where:
Base-Base interactions energy: -76.882
where: short stacking energy: -46.270
Base-Backbone interact. energy: -0.084
local terms energy: -61.850151
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -11.002
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -11.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -94.144545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.144545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.144545 (E_RNA)
where:
Base-Base interactions energy: -37.758
where: short stacking energy: -31.263
Base-Backbone interact. energy: -0.306
local terms energy: -56.081217
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -8.616
tors. eta vs tors. theta energy: -4.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -131.340193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.340193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.340193 (E_RNA)
where:
Base-Base interactions energy: -79.866
where: short stacking energy: -45.389
Base-Backbone interact. energy: -0.494
local terms energy: -50.979874
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -5.957
flat angles C4'-P-C4' energy: -13.625
flat angles P-C4'-P energy: -8.299
tors. eta vs tors. theta energy: -9.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -84.381792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.381792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.381792 (E_RNA)
where:
Base-Base interactions energy: -33.758
where: short stacking energy: -27.047
Base-Backbone interact. energy: -1.259
local terms energy: -49.364621
where:
bonds (distance) C4'-P energy: -17.879
bonds (distance) P-C4' energy: -13.903
flat angles C4'-P-C4' energy: -7.747
flat angles P-C4'-P energy: -5.220
tors. eta vs tors. theta energy: -4.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -229.653636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.653636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.653636 (E_RNA)
where:
Base-Base interactions energy: -147.833
where: short stacking energy: -75.959
Base-Backbone interact. energy: -0.872
local terms energy: -80.948854
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -24.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -230.404139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.404139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.404139 (E_RNA)
where:
Base-Base interactions energy: -153.132
where: short stacking energy: -72.070
Base-Backbone interact. energy: -0.002
local terms energy: -77.269900
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -13.659
flat angles C4'-P-C4' energy: -17.224
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -19.209
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: 3, replica: 10
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -217.887758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.887758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.887758 (E_RNA)
where:
Base-Base interactions energy: -142.580
where: short stacking energy: -67.540
Base-Backbone interact. energy: -0.099
local terms energy: -75.208943
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -12.043
tors. eta vs tors. theta energy: -17.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -218.968360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.968360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.968360 (E_RNA)
where:
Base-Base interactions energy: -148.035
where: short stacking energy: -65.079
Base-Backbone interact. energy: -0.097
local terms energy: -70.836596
where:
bonds (distance) C4'-P energy: -8.794
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -17.197
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -19.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -213.327867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.327867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.327867 (E_RNA)
where:
Base-Base interactions energy: -147.046
where: short stacking energy: -64.152
Base-Backbone interact. energy: -0.358
local terms energy: -65.924314
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -11.599
flat angles P-C4'-P energy: -7.249
tors. eta vs tors. theta energy: -20.066
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: 3
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -181.532779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.532779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.532779 (E_RNA)
where:
Base-Base interactions energy: -114.644
where: short stacking energy: -62.726
Base-Backbone interact. energy: -0.065
local terms energy: -66.824612
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -10.785
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -7.723
tors. eta vs tors. theta energy: -17.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -160.973439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.973439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.973439 (E_RNA)
where:
Base-Base interactions energy: -94.301
where: short stacking energy: -45.158
Base-Backbone interact. energy: -0.905
local terms energy: -65.767409
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -9.772
flat angles P-C4'-P energy: -10.746
tors. eta vs tors. theta energy: -12.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -103.772065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.772065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.772065 (E_RNA)
where:
Base-Base interactions energy: -57.704
where: short stacking energy: -47.350
Base-Backbone interact. energy: -0.446
local terms energy: -45.621780
where:
bonds (distance) C4'-P energy: -7.217
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -11.627
flat angles P-C4'-P energy: -1.789
tors. eta vs tors. theta energy: -10.872
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: 5
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -84.810096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.810096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.810096 (E_RNA)
where:
Base-Base interactions energy: -36.947
where: short stacking energy: -36.947
Base-Backbone interact. energy: -0.084
local terms energy: -47.778886
where:
bonds (distance) C4'-P energy: -7.239
bonds (distance) P-C4' energy: -12.977
flat angles C4'-P-C4' energy: -12.367
flat angles P-C4'-P energy: -6.164
tors. eta vs tors. theta energy: -9.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -74.530787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.530787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.530787 (E_RNA)
where:
Base-Base interactions energy: -27.555
where: short stacking energy: -19.521
Base-Backbone interact. energy: -0.579
local terms energy: -46.397095
where:
bonds (distance) C4'-P energy: -9.589
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -5.625
tors. eta vs tors. theta energy: 0.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -230.647251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.647251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.647251 (E_RNA)
where:
Base-Base interactions energy: -154.464
where: short stacking energy: -73.059
Base-Backbone interact. energy: -0.002
local terms energy: -76.181389
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: -22.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -223.038810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.038810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.038810 (E_RNA)
where:
Base-Base interactions energy: -144.662
where: short stacking energy: -74.243
Base-Backbone interact. energy: -0.012
local terms energy: -78.364967
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -9.170
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: 3, replica: 7
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -218.534233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.534233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.534233 (E_RNA)
where:
Base-Base interactions energy: -137.622
where: short stacking energy: -67.079
Base-Backbone interact. energy: -0.013
local terms energy: -80.898724
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -18.203
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -19.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -211.857565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.857565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.857565 (E_RNA)
where:
Base-Base interactions energy: -139.793
where: short stacking energy: -71.171
Base-Backbone interact. energy: -0.824
local terms energy: -71.241307
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -7.685
tors. eta vs tors. theta energy: -22.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -216.111570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.111570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.111570 (E_RNA)
where:
Base-Base interactions energy: -147.211
where: short stacking energy: -74.073
Base-Backbone interact. energy: -0.134
local terms energy: -68.767425
where:
bonds (distance) C4'-P energy: -10.908
bonds (distance) P-C4' energy: -11.927
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -20.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -191.532733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.532733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.532733 (E_RNA)
where:
Base-Base interactions energy: -130.155
where: short stacking energy: -62.610
Base-Backbone interact. energy: -0.056
local terms energy: -61.322178
where:
bonds (distance) C4'-P energy: -7.728
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -11.413
flat angles P-C4'-P energy: -7.292
tors. eta vs tors. theta energy: -17.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -132.372995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.372995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.372995 (E_RNA)
where:
Base-Base interactions energy: -72.733
where: short stacking energy: -34.209
Base-Backbone interact. energy: -0.172
local terms energy: -59.468661
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -8.225
tors. eta vs tors. theta energy: -6.533
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: 1
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -81.891961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.891961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.891961 (E_RNA)
where:
Base-Base interactions energy: -39.683
where: short stacking energy: -23.054
Base-Backbone interact. energy: -0.315
local terms energy: -41.894562
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -15.545
flat angles C4'-P-C4' energy: -10.571
flat angles P-C4'-P energy: -4.386
tors. eta vs tors. theta energy: 0.429
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: 476
Temperature: 1.300000
Total energy: -90.442009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.442009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.442009 (E_RNA)
where:
Base-Base interactions energy: -27.213
where: short stacking energy: -26.896
Base-Backbone interact. energy: 0.632
local terms energy: -63.860470
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -11.881
tors. eta vs tors. theta energy: -7.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -87.136833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.136833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.136833 (E_RNA)
where:
Base-Base interactions energy: -35.300
where: short stacking energy: -33.707
Base-Backbone interact. energy: -0.095
local terms energy: -51.741680
where:
bonds (distance) C4'-P energy: -9.851
bonds (distance) P-C4' energy: -16.517
flat angles C4'-P-C4' energy: -9.844
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: -7.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -233.748443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.748443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.748443 (E_RNA)
where:
Base-Base interactions energy: -152.740
where: short stacking energy: -69.992
Base-Backbone interact. energy: -0.104
local terms energy: -80.904134
where:
bonds (distance) C4'-P energy: -16.892
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -22.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -224.292687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.292687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.292687 (E_RNA)
where:
Base-Base interactions energy: -152.391
where: short stacking energy: -74.887
Base-Backbone interact. energy: -0.001
local terms energy: -71.900632
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -20.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -219.260975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.260975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.260975 (E_RNA)
where:
Base-Base interactions energy: -146.620
where: short stacking energy: -75.292
Base-Backbone interact. energy: -0.027
local terms energy: -72.613742
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -20.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -217.272612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.272612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.272612 (E_RNA)
where:
Base-Base interactions energy: -142.207
where: short stacking energy: -62.841
Base-Backbone interact. energy: -0.014
local terms energy: -75.051412
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -10.826
flat angles C4'-P-C4' energy: -17.513
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -20.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -210.062029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.062029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.062029 (E_RNA)
where:
Base-Base interactions energy: -139.704
where: short stacking energy: -70.022
Base-Backbone interact. energy: -0.129
local terms energy: -70.228446
where:
bonds (distance) C4'-P energy: -14.274
bonds (distance) P-C4' energy: -16.024
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -8.445
tors. eta vs tors. theta energy: -18.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -208.337750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.337750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.337750 (E_RNA)
where:
Base-Base interactions energy: -141.471
where: short stacking energy: -65.550
Base-Backbone interact. energy: -0.000
local terms energy: -66.866602
where:
bonds (distance) C4'-P energy: -13.765
bonds (distance) P-C4' energy: -9.939
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -15.756
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: 4
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -148.013179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.013179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.013179 (E_RNA)
where:
Base-Base interactions energy: -94.547
where: short stacking energy: -42.997
Base-Backbone interact. energy: -0.409
local terms energy: -53.056675
where:
bonds (distance) C4'-P energy: -12.311
bonds (distance) P-C4' energy: -11.716
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -6.778
tors. eta vs tors. theta energy: -8.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -88.265666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.265666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.265666 (E_RNA)
where:
Base-Base interactions energy: -42.530
where: short stacking energy: -26.042
Base-Backbone interact. energy: -0.957
local terms energy: -44.779002
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -10.538
flat angles C4'-P-C4' energy: -11.822
flat angles P-C4'-P energy: -7.184
tors. eta vs tors. theta energy: -1.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -81.920731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.920731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.920731 (E_RNA)
where:
Base-Base interactions energy: -27.179
where: short stacking energy: -27.179
Base-Backbone interact. energy: 1.248
local terms energy: -55.989614
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -8.099
tors. eta vs tors. theta energy: -3.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -74.549454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.549454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.549454 (E_RNA)
where:
Base-Base interactions energy: -26.781
where: short stacking energy: -26.781
Base-Backbone interact. energy: -0.043
local terms energy: -47.725668
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -14.444
flat angles C4'-P-C4' energy: -6.923
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -4.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -225.710755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.710755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.710755 (E_RNA)
where:
Base-Base interactions energy: -151.033
where: short stacking energy: -62.262
Base-Backbone interact. energy: -0.195
local terms energy: -74.482266
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -10.927
tors. eta vs tors. theta energy: -17.538
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: 2, replica: 8
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -231.007920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.007920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.007920 (E_RNA)
where:
Base-Base interactions energy: -153.638
where: short stacking energy: -77.408
Base-Backbone interact. energy: -0.000
local terms energy: -77.369758
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -21.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -229.236106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.236106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.236106 (E_RNA)
where:
Base-Base interactions energy: -152.999
where: short stacking energy: -71.724
Base-Backbone interact. energy: -0.207
local terms energy: -76.029406
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -15.141
flat angles P-C4'-P energy: -6.182
tors. eta vs tors. theta energy: -22.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -229.753564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.753564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.753564 (E_RNA)
where:
Base-Base interactions energy: -154.634
where: short stacking energy: -80.086
Base-Backbone interact. energy: -0.679
local terms energy: -74.440503
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -11.140
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -22.225
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: 5, replica: 10
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -213.062222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.062222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.062222 (E_RNA)
where:
Base-Base interactions energy: -136.251
where: short stacking energy: -63.163
Base-Backbone interact. energy: -0.340
local terms energy: -76.471164
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -17.721
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -19.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -196.193236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.193236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.193236 (E_RNA)
where:
Base-Base interactions energy: -133.561
where: short stacking energy: -60.115
Base-Backbone interact. energy: -0.600
local terms energy: -62.032222
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -2.028
tors. eta vs tors. theta energy: -14.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -154.535088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.535088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.535088 (E_RNA)
where:
Base-Base interactions energy: -92.133
where: short stacking energy: -44.659
Base-Backbone interact. energy: -0.557
local terms energy: -61.845093
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -12.430
flat angles P-C4'-P energy: -7.088
tors. eta vs tors. theta energy: -12.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -101.661289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.661289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.661289 (E_RNA)
where:
Base-Base interactions energy: -48.735
where: short stacking energy: -25.313
Base-Backbone interact. energy: -0.583
local terms energy: -52.343848
where:
bonds (distance) C4'-P energy: -15.056
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -7.088
tors. eta vs tors. theta energy: -2.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -82.249516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.249516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.249516 (E_RNA)
where:
Base-Base interactions energy: -32.835
where: short stacking energy: -20.834
Base-Backbone interact. energy: -0.272
local terms energy: -49.142432
where:
bonds (distance) C4'-P energy: -9.412
bonds (distance) P-C4' energy: -17.389
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -0.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -74.637085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.637085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.637085 (E_RNA)
where:
Base-Base interactions energy: -27.566
where: short stacking energy: -27.566
Base-Backbone interact. energy: 0.669
local terms energy: -47.740167
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -14.667
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -3.572
tors. eta vs tors. theta energy: -1.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -227.869528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.869528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.869528 (E_RNA)
where:
Base-Base interactions energy: -149.438
where: short stacking energy: -72.181
Base-Backbone interact. energy: -0.878
local terms energy: -77.554028
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -16.813
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -17.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -231.461158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.461158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.461158 (E_RNA)
where:
Base-Base interactions energy: -154.261
where: short stacking energy: -71.678
Base-Backbone interact. energy: -0.467
local terms energy: -76.733175
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: -18.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -215.238348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.238348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.238348 (E_RNA)
where:
Base-Base interactions energy: -139.037
where: short stacking energy: -64.938
Base-Backbone interact. energy: -0.922
local terms energy: -75.278554
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: -19.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -218.177953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.177953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.177953 (E_RNA)
where:
Base-Base interactions energy: -146.147
where: short stacking energy: -68.208
Base-Backbone interact. energy: -0.003
local terms energy: -72.028200
where:
bonds (distance) C4'-P energy: -10.638
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -11.658
flat angles P-C4'-P energy: -12.686
tors. eta vs tors. theta energy: -20.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -216.313277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.313277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.313277 (E_RNA)
where:
Base-Base interactions energy: -139.997
where: short stacking energy: -71.556
Base-Backbone interact. energy: -0.910
local terms energy: -75.406587
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -12.172
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -22.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -175.511641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.511641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.511641 (E_RNA)
where:
Base-Base interactions energy: -114.249
where: short stacking energy: -56.106
Base-Backbone interact. energy: -0.459
local terms energy: -60.803802
where:
bonds (distance) C4'-P energy: -9.159
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -8.987
tors. eta vs tors. theta energy: -12.806
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: 3
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -197.998507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.998507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.998507 (E_RNA)
where:
Base-Base interactions energy: -132.422
where: short stacking energy: -64.036
Base-Backbone interact. energy: -0.051
local terms energy: -65.525488
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -12.745
flat angles C4'-P-C4' energy: -16.066
flat angles P-C4'-P energy: -6.984
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: 8, replica: 5
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -84.233708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.233708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.233708 (E_RNA)
where:
Base-Base interactions energy: -37.009
where: short stacking energy: -37.009
Base-Backbone interact. energy: -0.001
local terms energy: -47.223646
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -1.820
tors. eta vs tors. theta energy: -5.153
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: 9
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -91.883798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.883798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.883798 (E_RNA)
where:
Base-Base interactions energy: -43.005
where: short stacking energy: -40.123
Base-Backbone interact. energy: -0.111
local terms energy: -48.767887
where:
bonds (distance) C4'-P energy: -11.837
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -9.320
flat angles P-C4'-P energy: -6.549
tors. eta vs tors. theta energy: -5.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -82.351409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.351409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.351409 (E_RNA)
where:
Base-Base interactions energy: -32.860
where: short stacking energy: -25.227
Base-Backbone interact. energy: -1.398
local terms energy: -48.093819
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -9.400
flat angles C4'-P-C4' energy: -4.763
flat angles P-C4'-P energy: -11.651
tors. eta vs tors. theta energy: -5.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -230.030403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.030403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.030403 (E_RNA)
where:
Base-Base interactions energy: -149.747
where: short stacking energy: -71.327
Base-Backbone interact. energy: -0.030
local terms energy: -80.253112
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -16.633
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -23.540
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: 480
Temperature: 0.950000
Total energy: -224.786305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.786305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.786305 (E_RNA)
where:
Base-Base interactions energy: -148.752
where: short stacking energy: -72.891
Base-Backbone interact. energy: -0.053
local terms energy: -75.981188
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -14.273
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -8.451
tors. eta vs tors. theta energy: -22.249
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: 3, replica: 6
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -224.404051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.404051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.404051 (E_RNA)
where:
Base-Base interactions energy: -148.941
where: short stacking energy: -66.593
Base-Backbone interact. energy: -0.008
local terms energy: -75.455144
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -17.826
flat angles P-C4'-P energy: -12.776
tors. eta vs tors. theta energy: -15.921
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: 10
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -215.194639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.194639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.194639 (E_RNA)
where:
Base-Base interactions energy: -140.296
where: short stacking energy: -65.921
Base-Backbone interact. energy: 0.449
local terms energy: -75.347270
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -19.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -208.943462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.943462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.943462 (E_RNA)
where:
Base-Base interactions energy: -130.930
where: short stacking energy: -63.219
Base-Backbone interact. energy: -0.036
local terms energy: -77.977451
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -12.679
tors. eta vs tors. theta energy: -18.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -161.599820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.599820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.599820 (E_RNA)
where:
Base-Base interactions energy: -99.273
where: short stacking energy: -45.018
Base-Backbone interact. energy: -0.325
local terms energy: -62.001994
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -12.408
flat angles P-C4'-P energy: -10.738
tors. eta vs tors. theta energy: -10.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -207.639201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.639201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.639201 (E_RNA)
where:
Base-Base interactions energy: -136.156
where: short stacking energy: -65.414
Base-Backbone interact. energy: -0.101
local terms energy: -71.382678
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -13.564
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -16.624
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: 5
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -87.938784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.938784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.938784 (E_RNA)
where:
Base-Base interactions energy: -38.459
where: short stacking energy: -33.452
Base-Backbone interact. energy: -0.074
local terms energy: -49.405335
where:
bonds (distance) C4'-P energy: -10.058
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -9.619
flat angles P-C4'-P energy: -10.205
tors. eta vs tors. theta energy: -4.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -79.182276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.182276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.182276 (E_RNA)
where:
Base-Base interactions energy: -26.853
where: short stacking energy: -24.051
Base-Backbone interact. energy: -0.263
local terms energy: -52.066083
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: -2.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -78.866999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.866999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.866999 (E_RNA)
where:
Base-Base interactions energy: -30.514
where: short stacking energy: -26.605
Base-Backbone interact. energy: 0.070
local terms energy: -48.422614
where:
bonds (distance) C4'-P energy: -10.464
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -6.770
tors. eta vs tors. theta energy: -3.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -226.644570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.644570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.644570 (E_RNA)
where:
Base-Base interactions energy: -151.446
where: short stacking energy: -72.116
Base-Backbone interact. energy: -0.918
local terms energy: -74.280818
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -14.658
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -21.847
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: 6
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -216.142071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.142071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.142071 (E_RNA)
where:
Base-Base interactions energy: -135.506
where: short stacking energy: -71.575
Base-Backbone interact. energy: -0.008
local terms energy: -80.628387
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -17.499
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -20.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -229.074276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.074276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.074276 (E_RNA)
where:
Base-Base interactions energy: -153.609
where: short stacking energy: -73.104
Base-Backbone interact. energy: -2.085
local terms energy: -73.380763
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -14.801
flat angles C4'-P-C4' energy: -16.762
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -18.796
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: 7
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -231.773926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.773926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.773926 (E_RNA)
where:
Base-Base interactions energy: -157.663
where: short stacking energy: -80.879
Base-Backbone interact. energy: -0.592
local terms energy: -73.519011
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -7.064
tors. eta vs tors. theta energy: -20.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -207.065155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.065155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.065155 (E_RNA)
where:
Base-Base interactions energy: -134.291
where: short stacking energy: -69.621
Base-Backbone interact. energy: 0.663
local terms energy: -73.437245
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -12.113
flat angles C4'-P-C4' energy: -16.167
flat angles P-C4'-P energy: -13.470
tors. eta vs tors. theta energy: -19.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -199.352913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.352913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.352913 (E_RNA)
where:
Base-Base interactions energy: -126.230
where: short stacking energy: -63.989
Base-Backbone interact. energy: -0.000
local terms energy: -73.122707
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -11.474
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -20.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -153.318592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.318592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.318592 (E_RNA)
where:
Base-Base interactions energy: -95.025
where: short stacking energy: -40.519
Base-Backbone interact. energy: -0.736
local terms energy: -57.557435
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -8.302
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -11.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -89.746834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.746834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.746834 (E_RNA)
where:
Base-Base interactions energy: -31.708
where: short stacking energy: -28.388
Base-Backbone interact. energy: -0.302
local terms energy: -57.736449
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -8.283
tors. eta vs tors. theta energy: -7.220
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: 9, replica: 1
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -81.767746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.767746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.767746 (E_RNA)
where:
Base-Base interactions energy: -28.699
where: short stacking energy: -28.699
Base-Backbone interact. energy: -0.189
local terms energy: -52.879957
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -7.647
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -4.470
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: 10, replica: 9
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -77.580200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.580200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.580200 (E_RNA)
where:
Base-Base interactions energy: -30.201
where: short stacking energy: -21.612
Base-Backbone interact. energy: -0.322
local terms energy: -47.057959
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -6.589
tors. eta vs tors. theta energy: 1.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -231.264688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.264688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.264688 (E_RNA)
where:
Base-Base interactions energy: -147.596
where: short stacking energy: -73.418
Base-Backbone interact. energy: -0.087
local terms energy: -83.580952
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -20.029
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: 6
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -221.555633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.555633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.555633 (E_RNA)
where:
Base-Base interactions energy: -140.217
where: short stacking energy: -66.763
Base-Backbone interact. energy: -0.649
local terms energy: -80.690123
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -15.388
flat angles P-C4'-P energy: -11.163
tors. eta vs tors. theta energy: -20.211
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: 482
Temperature: 1.000000
Total energy: -224.771737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.771737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.771737 (E_RNA)
where:
Base-Base interactions energy: -154.118
where: short stacking energy: -74.885
Base-Backbone interact. energy: -0.002
local terms energy: -70.652418
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -20.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -212.015559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.015559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.015559 (E_RNA)
where:
Base-Base interactions energy: -140.679
where: short stacking energy: -65.420
Base-Backbone interact. energy: -1.205
local terms energy: -70.132154
where:
bonds (distance) C4'-P energy: -10.664
bonds (distance) P-C4' energy: -15.345
flat angles C4'-P-C4' energy: -16.122
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -18.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -197.769318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.769318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.769318 (E_RNA)
where:
Base-Base interactions energy: -131.656
where: short stacking energy: -54.025
Base-Backbone interact. energy: -0.057
local terms energy: -66.056369
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -16.387
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: -12.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -199.981389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.981389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.981389 (E_RNA)
where:
Base-Base interactions energy: -125.137
where: short stacking energy: -55.109
Base-Backbone interact. energy: -0.251
local terms energy: -74.593802
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -13.985
tors. eta vs tors. theta energy: -19.609
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: 7, replica: 4
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -156.670518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.670518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.670518 (E_RNA)
where:
Base-Base interactions energy: -89.118
where: short stacking energy: -46.543
Base-Backbone interact. energy: -0.334
local terms energy: -67.218538
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -12.658
flat angles C4'-P-C4' energy: -16.411
flat angles P-C4'-P energy: -9.618
tors. eta vs tors. theta energy: -15.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -86.012320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.012320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.012320 (E_RNA)
where:
Base-Base interactions energy: -26.597
where: short stacking energy: -17.034
Base-Backbone interact. energy: -0.124
local terms energy: -59.291230
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -5.449
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: 482
Temperature: 1.300000
Total energy: -79.927563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.927563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.927563 (E_RNA)
where:
Base-Base interactions energy: -33.528
where: short stacking energy: -33.528
Base-Backbone interact. energy: -0.013
local terms energy: -46.385691
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -13.869
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -0.492
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: 1
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -84.310917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.310917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.310917 (E_RNA)
where:
Base-Base interactions energy: -37.524
where: short stacking energy: -32.179
Base-Backbone interact. energy: -0.115
local terms energy: -46.671497
where:
bonds (distance) C4'-P energy: -11.222
bonds (distance) P-C4' energy: -13.262
flat angles C4'-P-C4' energy: -17.041
flat angles P-C4'-P energy: -3.812
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: 8
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -227.938570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.938570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.938570 (E_RNA)
where:
Base-Base interactions energy: -152.197
where: short stacking energy: -68.090
Base-Backbone interact. energy: -0.389
local terms energy: -75.353395
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -18.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -226.959031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.959031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.959031 (E_RNA)
where:
Base-Base interactions energy: -143.880
where: short stacking energy: -68.760
Base-Backbone interact. energy: -1.069
local terms energy: -82.009939
where:
bonds (distance) C4'-P energy: -17.165
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -17.655
flat angles P-C4'-P energy: -13.439
tors. eta vs tors. theta energy: -17.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -218.938376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.938376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.938376 (E_RNA)
where:
Base-Base interactions energy: -145.982
where: short stacking energy: -66.029
Base-Backbone interact. energy: -1.104
local terms energy: -71.852522
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -12.241
tors. eta vs tors. theta energy: -15.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -226.438853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.438853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.438853 (E_RNA)
where:
Base-Base interactions energy: -144.312
where: short stacking energy: -71.648
Base-Backbone interact. energy: -0.072
local terms energy: -82.055096
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -13.625
tors. eta vs tors. theta energy: -23.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -223.459555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.459555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.459555 (E_RNA)
where:
Base-Base interactions energy: -151.360
where: short stacking energy: -75.232
Base-Backbone interact. energy: -0.215
local terms energy: -71.884456
where:
bonds (distance) C4'-P energy: -11.018
bonds (distance) P-C4' energy: -12.664
flat angles C4'-P-C4' energy: -16.553
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -19.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -203.017249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.017249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.017249 (E_RNA)
where:
Base-Base interactions energy: -135.298
where: short stacking energy: -71.641
Base-Backbone interact. energy: -0.011
local terms energy: -67.708261
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: -18.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -146.015083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.015083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.015083 (E_RNA)
where:
Base-Base interactions energy: -88.113
where: short stacking energy: -48.423
Base-Backbone interact. energy: -1.087
local terms energy: -56.814448
where:
bonds (distance) C4'-P energy: -9.524
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -5.410
tors. eta vs tors. theta energy: -11.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -89.487532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.487532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.487532 (E_RNA)
where:
Base-Base interactions energy: -38.081
where: short stacking energy: -38.081
Base-Backbone interact. energy: -0.018
local terms energy: -51.388888
where:
bonds (distance) C4'-P energy: -10.927
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -12.656
flat angles P-C4'-P energy: -7.290
tors. eta vs tors. theta energy: -5.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -76.146755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.146755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.146755 (E_RNA)
where:
Base-Base interactions energy: -22.353
where: short stacking energy: -18.027
Base-Backbone interact. energy: 0.394
local terms energy: -54.187488
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -11.399
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -0.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -72.905870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.905870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.905870 (E_RNA)
where:
Base-Base interactions energy: -35.258
where: short stacking energy: -22.243
Base-Backbone interact. energy: 1.263
local terms energy: -38.910738
where:
bonds (distance) C4'-P energy: -8.973
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -4.745
tors. eta vs tors. theta energy: 2.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -233.659666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.659666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.659666 (E_RNA)
where:
Base-Base interactions energy: -156.239
where: short stacking energy: -76.595
Base-Backbone interact. energy: -0.472
local terms energy: -76.949354
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -9.180
tors. eta vs tors. theta energy: -19.714
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: 8
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -223.085912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.085912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.085912 (E_RNA)
where:
Base-Base interactions energy: -147.774
where: short stacking energy: -68.158
Base-Backbone interact. energy: -0.656
local terms energy: -74.655015
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -14.576
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: -20.546
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: 3, replica: 10
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -205.137904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.137904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.137904 (E_RNA)
where:
Base-Base interactions energy: -134.178
where: short stacking energy: -60.637
Base-Backbone interact. energy: -0.003
local terms energy: -70.957179
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -13.608
tors. eta vs tors. theta energy: -12.410
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: 6
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -221.872188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.872188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.872188 (E_RNA)
where:
Base-Base interactions energy: -144.041
where: short stacking energy: -69.586
Base-Backbone interact. energy: -0.005
local terms energy: -77.826682
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -20.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -196.655538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.655538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.655538 (E_RNA)
where:
Base-Base interactions energy: -122.334
where: short stacking energy: -61.733
Base-Backbone interact. energy: -0.306
local terms energy: -74.015781
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -16.949
flat angles P-C4'-P energy: -12.906
tors. eta vs tors. theta energy: -12.206
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: 2
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -199.250569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.250569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.250569 (E_RNA)
where:
Base-Base interactions energy: -131.710
where: short stacking energy: -59.607
Base-Backbone interact. energy: -0.009
local terms energy: -67.531833
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -7.647
tors. eta vs tors. theta energy: -14.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -155.049445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.049445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.049445 (E_RNA)
where:
Base-Base interactions energy: -93.312
where: short stacking energy: -57.651
Base-Backbone interact. energy: -0.480
local terms energy: -61.257857
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -11.116
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: -12.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -82.436573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.436573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.436573 (E_RNA)
where:
Base-Base interactions energy: -38.316
where: short stacking energy: -31.084
Base-Backbone interact. energy: -0.240
local terms energy: -43.881295
where:
bonds (distance) C4'-P energy: -7.488
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -3.642
tors. eta vs tors. theta energy: -2.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -76.201032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.201032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.201032 (E_RNA)
where:
Base-Base interactions energy: -30.368
where: short stacking energy: -20.120
Base-Backbone interact. energy: -1.807
local terms energy: -44.026072
where:
bonds (distance) C4'-P energy: -11.430
bonds (distance) P-C4' energy: -10.862
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -7.098
tors. eta vs tors. theta energy: 0.263
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: 5
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -74.776940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.776940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.776940 (E_RNA)
where:
Base-Base interactions energy: -34.392
where: short stacking energy: -21.243
Base-Backbone interact. energy: -0.629
local terms energy: -39.756169
where:
bonds (distance) C4'-P energy: -13.567
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -4.121
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: 2.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -233.482409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.482409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.482409 (E_RNA)
where:
Base-Base interactions energy: -154.317
where: short stacking energy: -68.766
Base-Backbone interact. energy: -0.005
local terms energy: -79.160360
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -17.336
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: -20.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -226.007651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.007651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.007651 (E_RNA)
where:
Base-Base interactions energy: -152.364
where: short stacking energy: -74.962
Base-Backbone interact. energy: -0.576
local terms energy: -73.068031
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -20.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -231.110898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.110898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.110898 (E_RNA)
where:
Base-Base interactions energy: -152.770
where: short stacking energy: -74.817
Base-Backbone interact. energy: -0.002
local terms energy: -78.338535
where:
bonds (distance) C4'-P energy: -12.837
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -13.007
tors. eta vs tors. theta energy: -21.581
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: 6
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -218.710202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.710202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.710202 (E_RNA)
where:
Base-Base interactions energy: -149.726
where: short stacking energy: -71.090
Base-Backbone interact. energy: -0.001
local terms energy: -68.983477
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -12.848
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -20.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -208.219777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.219777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.219777 (E_RNA)
where:
Base-Base interactions energy: -134.570
where: short stacking energy: -63.609
Base-Backbone interact. energy: -0.013
local terms energy: -73.636560
where:
bonds (distance) C4'-P energy: -13.319
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -18.028
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: 485
Temperature: 1.150000
Total energy: -200.881130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.881130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.881130 (E_RNA)
where:
Base-Base interactions energy: -128.851
where: short stacking energy: -69.344
Base-Backbone interact. energy: -0.011
local terms energy: -72.019638
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -15.345
flat angles C4'-P-C4' energy: -12.152
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -18.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -159.574664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.574664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.574664 (E_RNA)
where:
Base-Base interactions energy: -91.547
where: short stacking energy: -58.160
Base-Backbone interact. energy: -0.837
local terms energy: -67.189921
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -11.938
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -15.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -83.746761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.746761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.746761 (E_RNA)
where:
Base-Base interactions energy: -33.552
where: short stacking energy: -22.309
Base-Backbone interact. energy: -0.279
local terms energy: -49.916195
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -11.321
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: -3.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -83.866135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.866135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.866135 (E_RNA)
where:
Base-Base interactions energy: -38.496
where: short stacking energy: -35.476
Base-Backbone interact. energy: -0.648
local terms energy: -44.721841
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -10.534
flat angles C4'-P-C4' energy: -10.882
flat angles P-C4'-P energy: -4.157
tors. eta vs tors. theta energy: -4.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -115.229806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.229806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.229806 (E_RNA)
where:
Base-Base interactions energy: -59.195
where: short stacking energy: -28.922
Base-Backbone interact. energy: -0.224
local terms energy: -55.810986
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -2.684
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: 1, replica: 10
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -224.864705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.864705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.864705 (E_RNA)
where:
Base-Base interactions energy: -141.141
where: short stacking energy: -75.123
Base-Backbone interact. energy: -0.081
local terms energy: -83.642582
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -11.223
tors. eta vs tors. theta energy: -22.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -229.504654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.504654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.504654 (E_RNA)
where:
Base-Base interactions energy: -153.276
where: short stacking energy: -71.531
Base-Backbone interact. energy: -0.003
local terms energy: -76.226323
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -11.905
tors. eta vs tors. theta energy: -19.995
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: 3, replica: 8
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -223.975934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.975934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.975934 (E_RNA)
where:
Base-Base interactions energy: -145.829
where: short stacking energy: -74.273
Base-Backbone interact. energy: -0.658
local terms energy: -77.489199
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -11.751
tors. eta vs tors. theta energy: -20.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -216.494738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.494738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.494738 (E_RNA)
where:
Base-Base interactions energy: -141.928
where: short stacking energy: -64.679
Base-Backbone interact. energy: -0.128
local terms energy: -74.438815
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -19.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -217.344495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.344495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.344495 (E_RNA)
where:
Base-Base interactions energy: -139.512
where: short stacking energy: -74.061
Base-Backbone interact. energy: -1.574
local terms energy: -76.258387
where:
bonds (distance) C4'-P energy: -10.979
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -14.535
flat angles P-C4'-P energy: -14.928
tors. eta vs tors. theta energy: -19.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -196.166716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.166716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.166716 (E_RNA)
where:
Base-Base interactions energy: -134.930
where: short stacking energy: -70.295
Base-Backbone interact. energy: -0.003
local terms energy: -61.233396
where:
bonds (distance) C4'-P energy: -7.937
bonds (distance) P-C4' energy: -11.257
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -7.345
tors. eta vs tors. theta energy: -17.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -164.337557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.337557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.337557 (E_RNA)
where:
Base-Base interactions energy: -104.196
where: short stacking energy: -42.595
Base-Backbone interact. energy: -0.172
local terms energy: -59.970012
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -11.539
flat angles C4'-P-C4' energy: -11.964
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: -11.552
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: 8, replica: 1
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -96.659657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.659657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.659657 (E_RNA)
where:
Base-Base interactions energy: -50.290
where: short stacking energy: -29.233
Base-Backbone interact. energy: -0.371
local terms energy: -45.998209
where:
bonds (distance) C4'-P energy: -8.949
bonds (distance) P-C4' energy: -14.267
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -5.957
tors. eta vs tors. theta energy: -4.126
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: 5
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -78.771748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.771748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.771748 (E_RNA)
where:
Base-Base interactions energy: -44.933
where: short stacking energy: -24.799
Base-Backbone interact. energy: -0.117
local terms energy: -33.721152
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -6.436
flat angles C4'-P-C4' energy: -6.279
flat angles P-C4'-P energy: -2.106
tors. eta vs tors. theta energy: -4.263
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: 486
Temperature: 1.350000
Total energy: -78.975710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.975710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.975710 (E_RNA)
where:
Base-Base interactions energy: -25.929
where: short stacking energy: -24.867
Base-Backbone interact. energy: -0.339
local terms energy: -52.707056
where:
bonds (distance) C4'-P energy: -12.500
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -12.049
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -2.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -234.320780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.320780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.320780 (E_RNA)
where:
Base-Base interactions energy: -153.575
where: short stacking energy: -71.758
Base-Backbone interact. energy: -0.020
local terms energy: -80.725538
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -16.534
flat angles P-C4'-P energy: -14.819
tors. eta vs tors. theta energy: -22.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -225.825974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.825974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.825974 (E_RNA)
where:
Base-Base interactions energy: -150.595
where: short stacking energy: -73.759
Base-Backbone interact. energy: -0.336
local terms energy: -74.894244
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -12.477
flat angles C4'-P-C4' energy: -17.055
flat angles P-C4'-P energy: -9.214
tors. eta vs tors. theta energy: -19.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -216.696716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.696716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.696716 (E_RNA)
where:
Base-Base interactions energy: -140.487
where: short stacking energy: -67.618
Base-Backbone interact. energy: -0.003
local terms energy: -76.206026
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -12.336
tors. eta vs tors. theta energy: -20.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -223.348885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.348885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.348885 (E_RNA)
where:
Base-Base interactions energy: -144.360
where: short stacking energy: -70.128
Base-Backbone interact. energy: -0.173
local terms energy: -78.816524
where:
bonds (distance) C4'-P energy: -13.398
bonds (distance) P-C4' energy: -16.500
flat angles C4'-P-C4' energy: -18.290
flat angles P-C4'-P energy: -10.736
tors. eta vs tors. theta energy: -19.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -228.648512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.648512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.648512 (E_RNA)
where:
Base-Base interactions energy: -146.921
where: short stacking energy: -75.723
Base-Backbone interact. energy: -0.454
local terms energy: -81.274114
where:
bonds (distance) C4'-P energy: -14.472
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -14.835
tors. eta vs tors. theta energy: -22.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -163.258502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.258502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.258502 (E_RNA)
where:
Base-Base interactions energy: -95.753
where: short stacking energy: -57.680
Base-Backbone interact. energy: -0.003
local terms energy: -67.501698
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -12.350
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -13.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -204.758456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.758456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.758456 (E_RNA)
where:
Base-Base interactions energy: -136.585
where: short stacking energy: -63.974
Base-Backbone interact. energy: -0.042
local terms energy: -68.131058
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -9.494
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -20.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -93.391398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.391398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.391398 (E_RNA)
where:
Base-Base interactions energy: -37.618
where: short stacking energy: -37.258
Base-Backbone interact. energy: 1.584
local terms energy: -57.357403
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -5.844
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: 9, replica: 1
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -84.301908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.301908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.301908 (E_RNA)
where:
Base-Base interactions energy: -32.327
where: short stacking energy: -23.920
Base-Backbone interact. energy: -0.342
local terms energy: -51.632783
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: 1.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -73.309692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.309692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.309692 (E_RNA)
where:
Base-Base interactions energy: -21.689
where: short stacking energy: -21.689
Base-Backbone interact. energy: -0.008
local terms energy: -51.612832
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -12.914
flat angles C4'-P-C4' energy: -9.924
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -4.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -237.456636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.456636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.456636 (E_RNA)
where:
Base-Base interactions energy: -158.026
where: short stacking energy: -82.554
Base-Backbone interact. energy: -0.042
local terms energy: -79.388976
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -18.518
flat angles P-C4'-P energy: -7.591
tors. eta vs tors. theta energy: -21.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -232.054684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.054684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.054684 (E_RNA)
where:
Base-Base interactions energy: -155.071
where: short stacking energy: -79.516
Base-Backbone interact. energy: -0.314
local terms energy: -76.669067
where:
bonds (distance) C4'-P energy: -9.677
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -17.221
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: -22.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -219.638847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.638847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.638847 (E_RNA)
where:
Base-Base interactions energy: -148.160
where: short stacking energy: -74.192
Base-Backbone interact. energy: -0.055
local terms energy: -71.423668
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -19.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -227.487859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.487859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.487859 (E_RNA)
where:
Base-Base interactions energy: -155.306
where: short stacking energy: -75.994
Base-Backbone interact. energy: -0.013
local terms energy: -72.169354
where:
bonds (distance) C4'-P energy: -10.479
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -20.325
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: 6
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -207.558692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.558692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.558692 (E_RNA)
where:
Base-Base interactions energy: -140.560
where: short stacking energy: -65.907
Base-Backbone interact. energy: -0.258
local terms energy: -66.740550
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -16.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -163.626276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.626276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.626276 (E_RNA)
where:
Base-Base interactions energy: -107.975
where: short stacking energy: -51.722
Base-Backbone interact. energy: 0.749
local terms energy: -56.400390
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -5.792
tors. eta vs tors. theta energy: -10.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -95.218598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.218598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.218598 (E_RNA)
where:
Base-Base interactions energy: -44.104
where: short stacking energy: -31.385
Base-Backbone interact. energy: -0.146
local terms energy: -50.968523
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -16.724
flat angles C4'-P-C4' energy: -8.992
flat angles P-C4'-P energy: -6.172
tors. eta vs tors. theta energy: -6.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -177.613178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.613178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.613178 (E_RNA)
where:
Base-Base interactions energy: -111.970
where: short stacking energy: -57.210
Base-Backbone interact. energy: 1.284
local terms energy: -66.926920
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: -13.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -87.114462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.114462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.114462 (E_RNA)
where:
Base-Base interactions energy: -32.132
where: short stacking energy: -31.754
Base-Backbone interact. energy: -0.093
local terms energy: -54.888751
where:
bonds (distance) C4'-P energy: -9.477
bonds (distance) P-C4' energy: -14.837
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -7.973
tors. eta vs tors. theta energy: -6.643
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: 1
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -85.913124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.913124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.913124 (E_RNA)
where:
Base-Base interactions energy: -32.742
where: short stacking energy: -32.742
Base-Backbone interact. energy: -0.218
local terms energy: -52.953347
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -12.181
flat angles C4'-P-C4' energy: -9.710
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -7.522
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: 7
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -231.742134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.742134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.742134 (E_RNA)
where:
Base-Base interactions energy: -154.420
where: short stacking energy: -70.502
Base-Backbone interact. energy: -0.005
local terms energy: -77.318050
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -17.512
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -18.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -221.253921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.253921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.253921 (E_RNA)
where:
Base-Base interactions energy: -145.608
where: short stacking energy: -66.181
Base-Backbone interact. energy: -0.009
local terms energy: -75.636685
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -17.673
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -19.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -221.412551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.412551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.412551 (E_RNA)
where:
Base-Base interactions energy: -143.518
where: short stacking energy: -78.625
Base-Backbone interact. energy: -1.467
local terms energy: -76.427121
where:
bonds (distance) C4'-P energy: -12.494
bonds (distance) P-C4' energy: -12.956
flat angles C4'-P-C4' energy: -18.588
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -21.850
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: 8
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -228.737560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.737560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.737560 (E_RNA)
where:
Base-Base interactions energy: -151.293
where: short stacking energy: -73.654
Base-Backbone interact. energy: -0.036
local terms energy: -77.408274
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -14.398
tors. eta vs tors. theta energy: -21.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -199.511222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.511222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.511222 (E_RNA)
where:
Base-Base interactions energy: -128.201
where: short stacking energy: -59.471
Base-Backbone interact. energy: -0.071
local terms energy: -71.239345
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -16.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -164.973769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.973769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.973769 (E_RNA)
where:
Base-Base interactions energy: -98.779
where: short stacking energy: -47.209
Base-Backbone interact. energy: 1.316
local terms energy: -67.509897
where:
bonds (distance) C4'-P energy: -9.056
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -11.398
tors. eta vs tors. theta energy: -14.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -87.402858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.402858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.402858 (E_RNA)
where:
Base-Base interactions energy: -35.973
where: short stacking energy: -25.365
Base-Backbone interact. energy: -0.440
local terms energy: -50.989441
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -14.580
flat angles C4'-P-C4' energy: -12.802
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: -3.029
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: 8, replica: 2
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -185.108373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.108373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.108373 (E_RNA)
where:
Base-Base interactions energy: -116.182
where: short stacking energy: -52.801
Base-Backbone interact. energy: -0.034
local terms energy: -68.891557
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -11.091
flat angles P-C4'-P energy: -12.874
tors. eta vs tors. theta energy: -14.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -88.232331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.232331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.232331 (E_RNA)
where:
Base-Base interactions energy: -38.213
where: short stacking energy: -38.213
Base-Backbone interact. energy: -0.053
local terms energy: -49.966190
where:
bonds (distance) C4'-P energy: -11.092
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -9.144
flat angles P-C4'-P energy: -4.482
tors. eta vs tors. theta energy: -10.752
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: 1
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -77.615251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.615251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.615251 (E_RNA)
where:
Base-Base interactions energy: -26.579
where: short stacking energy: -26.239
Base-Backbone interact. energy: -0.187
local terms energy: -50.848894
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -10.671
flat angles C4'-P-C4' energy: -17.519
flat angles P-C4'-P energy: -4.788
tors. eta vs tors. theta energy: -4.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -224.587959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.587959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.587959 (E_RNA)
where:
Base-Base interactions energy: -151.193
where: short stacking energy: -70.102
Base-Backbone interact. energy: -0.004
local terms energy: -73.390152
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -19.355
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: 2, replica: 3
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -228.083933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.083933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.083933 (E_RNA)
where:
Base-Base interactions energy: -151.106
where: short stacking energy: -73.780
Base-Backbone interact. energy: -0.001
local terms energy: -76.977274
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -22.168
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: 8
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -231.393801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.393801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.393801 (E_RNA)
where:
Base-Base interactions energy: -154.462
where: short stacking energy: -77.956
Base-Backbone interact. energy: -0.000
local terms energy: -76.932025
where:
bonds (distance) C4'-P energy: -13.211
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -22.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -210.280144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.280144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.280144 (E_RNA)
where:
Base-Base interactions energy: -135.104
where: short stacking energy: -67.941
Base-Backbone interact. energy: -0.414
local terms energy: -74.762558
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -11.467
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -20.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -167.567517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.567517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.567517 (E_RNA)
where:
Base-Base interactions energy: -103.352
where: short stacking energy: -47.561
Base-Backbone interact. energy: -0.012
local terms energy: -64.202858
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -13.422
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -13.707
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: 6, replica: 6
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -201.109187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.109187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.109187 (E_RNA)
where:
Base-Base interactions energy: -128.659
where: short stacking energy: -60.369
Base-Backbone interact. energy: 0.033
local terms energy: -72.482886
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -15.435
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -12.712
tors. eta vs tors. theta energy: -15.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -193.283977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.283977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.283977 (E_RNA)
where:
Base-Base interactions energy: -128.572
where: short stacking energy: -62.801
Base-Backbone interact. energy: -0.055
local terms energy: -64.657206
where:
bonds (distance) C4'-P energy: -12.698
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -16.306
flat angles P-C4'-P energy: -6.158
tors. eta vs tors. theta energy: -15.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -115.134828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.134828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.134828 (E_RNA)
where:
Base-Base interactions energy: -63.029
where: short stacking energy: -33.384
Base-Backbone interact. energy: -0.109
local terms energy: -51.997327
where:
bonds (distance) C4'-P energy: -11.893
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -10.054
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -5.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -81.072630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.072630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.072630 (E_RNA)
where:
Base-Base interactions energy: -37.183
where: short stacking energy: -37.183
Base-Backbone interact. energy: -0.111
local terms energy: -43.778706
where:
bonds (distance) C4'-P energy: -5.230
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -10.593
flat angles P-C4'-P energy: -6.304
tors. eta vs tors. theta energy: -7.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -80.682971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.682971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.682971 (E_RNA)
where:
Base-Base interactions energy: -36.141
where: short stacking energy: -34.485
Base-Backbone interact. energy: -0.038
local terms energy: -44.504722
where:
bonds (distance) C4'-P energy: -10.224
bonds (distance) P-C4' energy: -9.427
flat angles C4'-P-C4' energy: -12.087
flat angles P-C4'-P energy: -3.736
tors. eta vs tors. theta energy: -9.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -230.528528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.528528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.528528 (E_RNA)
where:
Base-Base interactions energy: -146.984
where: short stacking energy: -74.933
Base-Backbone interact. energy: -1.447
local terms energy: -82.098151
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -13.200
tors. eta vs tors. theta energy: -21.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -231.549426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.549426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.549426 (E_RNA)
where:
Base-Base interactions energy: -157.245
where: short stacking energy: -71.007
Base-Backbone interact. energy: -0.046
local terms energy: -74.258769
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -14.684
tors. eta vs tors. theta energy: -18.797
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: 3
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -218.552590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.552590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.552590 (E_RNA)
where:
Base-Base interactions energy: -143.072
where: short stacking energy: -70.936
Base-Backbone interact. energy: -0.006
local terms energy: -75.474892
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -18.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -206.559737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.559737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.559737 (E_RNA)
where:
Base-Base interactions energy: -130.487
where: short stacking energy: -67.428
Base-Backbone interact. energy: -0.001
local terms energy: -76.071477
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -13.648
tors. eta vs tors. theta energy: -21.994
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: 4
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -162.360579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.360579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.360579 (E_RNA)
where:
Base-Base interactions energy: -99.669
where: short stacking energy: -53.661
Base-Backbone interact. energy: -0.124
local terms energy: -62.567092
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -10.996
flat angles P-C4'-P energy: -9.226
tors. eta vs tors. theta energy: -14.475
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: 2
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -201.005852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.005852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.005852 (E_RNA)
where:
Base-Base interactions energy: -135.582
where: short stacking energy: -51.458
Base-Backbone interact. energy: -0.162
local terms energy: -65.262081
where:
bonds (distance) C4'-P energy: -13.951
bonds (distance) P-C4' energy: -11.956
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: -15.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -191.129191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.129191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.129191 (E_RNA)
where:
Base-Base interactions energy: -124.829
where: short stacking energy: -51.226
Base-Backbone interact. energy: -0.006
local terms energy: -66.294078
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -14.060
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: 491
Temperature: 1.250000
Total energy: -86.988799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.988799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.988799 (E_RNA)
where:
Base-Base interactions energy: -34.278
where: short stacking energy: -25.263
Base-Backbone interact. energy: -0.272
local terms energy: -52.438598
where:
bonds (distance) C4'-P energy: -10.533
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -7.163
tors. eta vs tors. theta energy: -3.214
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: 5
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -73.719975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.719975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.719975 (E_RNA)
where:
Base-Base interactions energy: -24.822
where: short stacking energy: -24.411
Base-Backbone interact. energy: -0.807
local terms energy: -48.091223
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -8.961
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: 0.949
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: 10, replica: 9
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -74.865112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.865112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.865112 (E_RNA)
where:
Base-Base interactions energy: -33.126
where: short stacking energy: -33.126
Base-Backbone interact. energy: -0.228
local terms energy: -41.510365
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -7.882
flat angles P-C4'-P energy: -6.705
tors. eta vs tors. theta energy: -1.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -232.327296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.327296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.327296 (E_RNA)
where:
Base-Base interactions energy: -162.624
where: short stacking energy: -68.991
Base-Backbone interact. energy: -0.081
local terms energy: -69.622552
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -15.932
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: 7
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -226.586907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.586907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.586907 (E_RNA)
where:
Base-Base interactions energy: -151.901
where: short stacking energy: -74.035
Base-Backbone interact. energy: -0.248
local terms energy: -74.437207
where:
bonds (distance) C4'-P energy: -15.375
bonds (distance) P-C4' energy: -12.119
flat angles C4'-P-C4' energy: -17.464
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -21.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -229.712133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.712133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.712133 (E_RNA)
where:
Base-Base interactions energy: -156.074
where: short stacking energy: -75.757
Base-Backbone interact. energy: -0.527
local terms energy: -73.110697
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -7.057
tors. eta vs tors. theta energy: -21.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -202.564537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.564537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.564537 (E_RNA)
where:
Base-Base interactions energy: -127.559
where: short stacking energy: -62.565
Base-Backbone interact. energy: 0.759
local terms energy: -75.764154
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -14.157
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: -18.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -195.374086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.374086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.374086 (E_RNA)
where:
Base-Base interactions energy: -131.742
where: short stacking energy: -55.931
Base-Backbone interact. energy: -0.168
local terms energy: -63.464773
where:
bonds (distance) C4'-P energy: -9.910
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -10.566
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: -17.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -163.090843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.090843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.090843 (E_RNA)
where:
Base-Base interactions energy: -88.738
where: short stacking energy: -48.066
Base-Backbone interact. energy: -0.095
local terms energy: -74.257869
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -12.036
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: 7, replica: 6
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -204.368310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.368310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.368310 (E_RNA)
where:
Base-Base interactions energy: -141.701
where: short stacking energy: -66.681
Base-Backbone interact. energy: 3.118
local terms energy: -65.784960
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -14.273
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -4.176
tors. eta vs tors. theta energy: -16.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -86.761510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.761510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.761510 (E_RNA)
where:
Base-Base interactions energy: -29.773
where: short stacking energy: -29.773
Base-Backbone interact. energy: -0.447
local terms energy: -56.541525
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -15.069
flat angles P-C4'-P energy: -7.033
tors. eta vs tors. theta energy: -7.381
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: 9, replica: 5
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -84.049960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.049960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.049960 (E_RNA)
where:
Base-Base interactions energy: -28.967
where: short stacking energy: -25.708
Base-Backbone interact. energy: 0.031
local terms energy: -55.114346
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -15.143
flat angles C4'-P-C4' energy: -12.997
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -1.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -80.923945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.923945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.923945 (E_RNA)
where:
Base-Base interactions energy: -28.904
where: short stacking energy: -25.478
Base-Backbone interact. energy: -0.161
local terms energy: -51.859206
where:
bonds (distance) C4'-P energy: -9.268
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -7.739
tors. eta vs tors. theta energy: -4.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -224.177145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.177145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.177145 (E_RNA)
where:
Base-Base interactions energy: -153.354
where: short stacking energy: -63.913
Base-Backbone interact. energy: 0.831
local terms energy: -71.653716
where:
bonds (distance) C4'-P energy: -16.872
bonds (distance) P-C4' energy: -15.041
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -7.913
tors. eta vs tors. theta energy: -17.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -228.854595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.854595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.854595 (E_RNA)
where:
Base-Base interactions energy: -153.333
where: short stacking energy: -64.374
Base-Backbone interact. energy: -0.927
local terms energy: -74.594710
where:
bonds (distance) C4'-P energy: -11.533
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -17.091
flat angles P-C4'-P energy: -13.366
tors. eta vs tors. theta energy: -19.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -225.423196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.423196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.423196 (E_RNA)
where:
Base-Base interactions energy: -149.307
where: short stacking energy: -74.865
Base-Backbone interact. energy: -0.021
local terms energy: -76.095232
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -21.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -216.510553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.510553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.510553 (E_RNA)
where:
Base-Base interactions energy: -143.255
where: short stacking energy: -74.001
Base-Backbone interact. energy: -0.485
local terms energy: -72.770325
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -16.648
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -21.024
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: 2
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -190.183950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.183950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.183950 (E_RNA)
where:
Base-Base interactions energy: -121.520
where: short stacking energy: -53.351
Base-Backbone interact. energy: -0.204
local terms energy: -68.460109
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -13.223
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -13.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -190.008303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.008303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.008303 (E_RNA)
where:
Base-Base interactions energy: -127.257
where: short stacking energy: -58.263
Base-Backbone interact. energy: -0.229
local terms energy: -62.521495
where:
bonds (distance) C4'-P energy: -10.264
bonds (distance) P-C4' energy: -14.519
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -9.640
tors. eta vs tors. theta energy: -14.555
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: 493
Temperature: 1.200000
Total energy: -153.244333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.244333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.244333 (E_RNA)
where:
Base-Base interactions energy: -98.241
where: short stacking energy: -53.736
Base-Backbone interact. energy: -1.514
local terms energy: -53.488791
where:
bonds (distance) C4'-P energy: -11.936
bonds (distance) P-C4' energy: -11.651
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -7.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -81.068780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.068780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.068780 (E_RNA)
where:
Base-Base interactions energy: -23.675
where: short stacking energy: -17.111
Base-Backbone interact. energy: -0.127
local terms energy: -57.267024
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -4.869
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: 9, replica: 1
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -80.342733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.342733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.342733 (E_RNA)
where:
Base-Base interactions energy: -37.623
where: short stacking energy: -27.101
Base-Backbone interact. energy: -0.180
local terms energy: -42.539912
where:
bonds (distance) C4'-P energy: -11.595
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -5.469
flat angles P-C4'-P energy: -4.351
tors. eta vs tors. theta energy: -4.922
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: 9
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -74.625693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.625693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.625693 (E_RNA)
where:
Base-Base interactions energy: -33.838
where: short stacking energy: -28.690
Base-Backbone interact. energy: -0.136
local terms energy: -40.652345
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -8.340
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: 1.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -228.677856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.677856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.677856 (E_RNA)
where:
Base-Base interactions energy: -149.068
where: short stacking energy: -66.970
Base-Backbone interact. energy: -0.051
local terms energy: -79.558800
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -20.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -219.275374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.275374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.275374 (E_RNA)
where:
Base-Base interactions energy: -150.561
where: short stacking energy: -61.463
Base-Backbone interact. energy: 0.305
local terms energy: -69.019678
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -10.620
tors. eta vs tors. theta energy: -13.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -223.450975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.450975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.450975 (E_RNA)
where:
Base-Base interactions energy: -142.923
where: short stacking energy: -70.154
Base-Backbone interact. energy: -0.253
local terms energy: -80.275315
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -17.752
flat angles P-C4'-P energy: -12.842
tors. eta vs tors. theta energy: -21.600
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: 3
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -204.731906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.731906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.731906 (E_RNA)
where:
Base-Base interactions energy: -134.639
where: short stacking energy: -65.805
Base-Backbone interact. energy: -0.015
local terms energy: -70.078754
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -11.379
flat angles C4'-P-C4' energy: -17.812
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -16.175
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: 5, replica: 6
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -210.687360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.687360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.687360 (E_RNA)
where:
Base-Base interactions energy: -139.194
where: short stacking energy: -62.871
Base-Backbone interact. energy: -0.600
local terms energy: -70.893342
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -11.523
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -17.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -203.108255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.108255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.108255 (E_RNA)
where:
Base-Base interactions energy: -134.273
where: short stacking energy: -68.922
Base-Backbone interact. energy: -0.029
local terms energy: -68.806448
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -6.240
tors. eta vs tors. theta energy: -20.464
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: 5
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -100.135226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.135226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.135226 (E_RNA)
where:
Base-Base interactions energy: -41.043
where: short stacking energy: -40.868
Base-Backbone interact. energy: -0.139
local terms energy: -58.953312
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -12.100
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: -10.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -162.476804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.476804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.476804 (E_RNA)
where:
Base-Base interactions energy: -100.199
where: short stacking energy: -35.701
Base-Backbone interact. energy: -0.141
local terms energy: -62.137340
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -15.317
flat angles P-C4'-P energy: -6.053
tors. eta vs tors. theta energy: -9.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -81.275430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.275430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.275430 (E_RNA)
where:
Base-Base interactions energy: -28.205
where: short stacking energy: -16.559
Base-Backbone interact. energy: -0.110
local terms energy: -52.959879
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -9.701
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -2.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -94.861749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.861749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.861749 (E_RNA)
where:
Base-Base interactions energy: -50.051
where: short stacking energy: -28.897
Base-Backbone interact. energy: -0.426
local terms energy: -44.384363
where:
bonds (distance) C4'-P energy: -11.576
bonds (distance) P-C4' energy: -13.581
flat angles C4'-P-C4' energy: -10.520
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: -1.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -237.283472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.283472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.283472 (E_RNA)
where:
Base-Base interactions energy: -156.275
where: short stacking energy: -76.510
Base-Backbone interact. energy: -0.244
local terms energy: -80.764031
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -13.357
tors. eta vs tors. theta energy: -20.924
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: 2, replica: 10
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -229.705192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.705192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.705192 (E_RNA)
where:
Base-Base interactions energy: -151.982
where: short stacking energy: -69.865
Base-Backbone interact. energy: -0.199
local terms energy: -77.524541
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -13.118
flat angles C4'-P-C4' energy: -16.937
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -23.692
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: 495
Temperature: 1.000000
Total energy: -228.463250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.463250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.463250 (E_RNA)
where:
Base-Base interactions energy: -144.481
where: short stacking energy: -70.756
Base-Backbone interact. energy: -0.070
local terms energy: -83.912253
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -17.497
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -21.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -213.030583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.030583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.030583 (E_RNA)
where:
Base-Base interactions energy: -149.467
where: short stacking energy: -72.147
Base-Backbone interact. energy: 4.632
local terms energy: -68.195975
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -8.209
tors. eta vs tors. theta energy: -16.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -194.428717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.428717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.428717 (E_RNA)
where:
Base-Base interactions energy: -128.186
where: short stacking energy: -63.944
Base-Backbone interact. energy: -0.606
local terms energy: -65.636354
where:
bonds (distance) C4'-P energy: -11.105
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: -16.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -217.705560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.705560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.705560 (E_RNA)
where:
Base-Base interactions energy: -142.941
where: short stacking energy: -72.914
Base-Backbone interact. energy: -0.030
local terms energy: -74.734144
where:
bonds (distance) C4'-P energy: -10.178
bonds (distance) P-C4' energy: -15.633
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -21.030
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: 7, replica: 5
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -92.902261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.902261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.902261 (E_RNA)
where:
Base-Base interactions energy: -39.264
where: short stacking energy: -35.644
Base-Backbone interact. energy: -0.039
local terms energy: -53.598499
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -8.583
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -6.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -155.675711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.675711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.675711 (E_RNA)
where:
Base-Base interactions energy: -102.483
where: short stacking energy: -40.373
Base-Backbone interact. energy: -0.204
local terms energy: -52.989450
where:
bonds (distance) C4'-P energy: -7.351
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -6.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -76.641501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.641501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.641501 (E_RNA)
where:
Base-Base interactions energy: -33.338
where: short stacking energy: -26.984
Base-Backbone interact. energy: 0.824
local terms energy: -44.126772
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -10.797
flat angles C4'-P-C4' energy: -7.935
flat angles P-C4'-P energy: -6.423
tors. eta vs tors. theta energy: -4.113
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: 1
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -70.418239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.418239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.418239 (E_RNA)
where:
Base-Base interactions energy: -21.395
where: short stacking energy: -21.046
Base-Backbone interact. energy: -0.105
local terms energy: -48.917698
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -11.145
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: 2.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -231.867147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.867147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.867147 (E_RNA)
where:
Base-Base interactions energy: -157.171
where: short stacking energy: -69.865
Base-Backbone interact. energy: -0.017
local terms energy: -74.678946
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -6.847
tors. eta vs tors. theta energy: -21.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -225.347387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.347387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.347387 (E_RNA)
where:
Base-Base interactions energy: -147.531
where: short stacking energy: -71.429
Base-Backbone interact. energy: -0.001
local terms energy: -77.815766
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -19.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -225.723755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.723755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.723755 (E_RNA)
where:
Base-Base interactions energy: -144.721
where: short stacking energy: -71.845
Base-Backbone interact. energy: -0.054
local terms energy: -80.948728
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -14.764
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: -22.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -225.546555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.546555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.546555 (E_RNA)
where:
Base-Base interactions energy: -150.197
where: short stacking energy: -74.811
Base-Backbone interact. energy: -0.157
local terms energy: -75.192525
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -20.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -195.340376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.340376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.340376 (E_RNA)
where:
Base-Base interactions energy: -125.390
where: short stacking energy: -61.758
Base-Backbone interact. energy: -0.778
local terms energy: -69.172934
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -14.555
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -6.974
tors. eta vs tors. theta energy: -18.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -196.872641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.872641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.872641 (E_RNA)
where:
Base-Base interactions energy: -132.847
where: short stacking energy: -67.200
Base-Backbone interact. energy: -0.643
local terms energy: -63.383148
where:
bonds (distance) C4'-P energy: -7.872
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -16.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -170.047685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.047685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.047685 (E_RNA)
where:
Base-Base interactions energy: -113.762
where: short stacking energy: -40.981
Base-Backbone interact. energy: -0.204
local terms energy: -56.081543
where:
bonds (distance) C4'-P energy: -9.777
bonds (distance) P-C4' energy: -10.590
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -10.002
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: 5
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -98.257764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.257764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.257764 (E_RNA)
where:
Base-Base interactions energy: -41.715
where: short stacking energy: -29.105
Base-Backbone interact. energy: -0.146
local terms energy: -56.396451
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: 1.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -80.785971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.785971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.785971 (E_RNA)
where:
Base-Base interactions energy: -34.684
where: short stacking energy: -26.697
Base-Backbone interact. energy: -1.130
local terms energy: -44.971735
where:
bonds (distance) C4'-P energy: -12.005
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -12.166
flat angles P-C4'-P energy: -6.447
tors. eta vs tors. theta energy: -0.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -85.333778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.333778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.333778 (E_RNA)
where:
Base-Base interactions energy: -27.441
where: short stacking energy: -27.441
Base-Backbone interact. energy: -0.084
local terms energy: -57.808235
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -17.529
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -4.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -226.808056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.808056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.808056 (E_RNA)
where:
Base-Base interactions energy: -145.597
where: short stacking energy: -76.079
Base-Backbone interact. energy: -0.599
local terms energy: -80.611751
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -16.388
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: -20.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -229.421623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.421623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.421623 (E_RNA)
where:
Base-Base interactions energy: -154.707
where: short stacking energy: -79.446
Base-Backbone interact. energy: -0.017
local terms energy: -74.698180
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -9.400
tors. eta vs tors. theta energy: -21.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -215.066461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.066461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.066461 (E_RNA)
where:
Base-Base interactions energy: -140.908
where: short stacking energy: -65.081
Base-Backbone interact. energy: -0.454
local terms energy: -73.704456
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -16.835
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -18.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -220.387925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.387925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.387925 (E_RNA)
where:
Base-Base interactions energy: -145.279
where: short stacking energy: -73.746
Base-Backbone interact. energy: -0.335
local terms energy: -74.774068
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -8.429
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: 5, replica: 2
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -212.371830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.371830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.371830 (E_RNA)
where:
Base-Base interactions energy: -140.843
where: short stacking energy: -72.367
Base-Backbone interact. energy: -0.609
local terms energy: -70.919873
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -17.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -140.813612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.813612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.813612 (E_RNA)
where:
Base-Base interactions energy: -95.252
where: short stacking energy: -35.271
Base-Backbone interact. energy: -0.357
local terms energy: -45.204129
where:
bonds (distance) C4'-P energy: -9.597
bonds (distance) P-C4' energy: -11.456
flat angles C4'-P-C4' energy: -10.166
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: -2.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -204.716545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.716545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.716545 (E_RNA)
where:
Base-Base interactions energy: -134.945
where: short stacking energy: -72.483
Base-Backbone interact. energy: -1.053
local terms energy: -68.718229
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -10.141
flat angles P-C4'-P energy: -12.372
tors. eta vs tors. theta energy: -19.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -97.265039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.265039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.265039 (E_RNA)
where:
Base-Base interactions energy: -48.754
where: short stacking energy: -34.321
Base-Backbone interact. energy: -0.407
local terms energy: -48.104847
where:
bonds (distance) C4'-P energy: -7.518
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: -1.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -91.662638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.662638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.662638 (E_RNA)
where:
Base-Base interactions energy: -44.448
where: short stacking energy: -37.613
Base-Backbone interact. energy: 0.789
local terms energy: -48.003765
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -8.460
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -7.367
tors. eta vs tors. theta energy: -7.476
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: 9
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -81.968590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.968590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.968590 (E_RNA)
where:
Base-Base interactions energy: -28.707
where: short stacking energy: -26.831
Base-Backbone interact. energy: -0.054
local terms energy: -53.208099
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -2.816
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: 8
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -235.707498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.707498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.707498 (E_RNA)
where:
Base-Base interactions energy: -156.896
where: short stacking energy: -76.501
Base-Backbone interact. energy: -1.125
local terms energy: -77.686119
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: -23.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -223.562753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.562753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.562753 (E_RNA)
where:
Base-Base interactions energy: -143.485
where: short stacking energy: -66.211
Base-Backbone interact. energy: -0.086
local terms energy: -79.990928
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -11.471
tors. eta vs tors. theta energy: -15.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -218.449261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.449261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.449261 (E_RNA)
where:
Base-Base interactions energy: -138.483
where: short stacking energy: -70.602
Base-Backbone interact. energy: -0.990
local terms energy: -78.975841
where:
bonds (distance) C4'-P energy: -16.798
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -18.419
flat angles P-C4'-P energy: -11.763
tors. eta vs tors. theta energy: -19.276
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: 4, replica: 7
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -222.641346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.641346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.641346 (E_RNA)
where:
Base-Base interactions energy: -147.951
where: short stacking energy: -67.863
Base-Backbone interact. energy: -0.095
local terms energy: -74.595649
where:
bonds (distance) C4'-P energy: -17.439
bonds (distance) P-C4' energy: -12.333
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -20.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -200.757685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.757685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.757685 (E_RNA)
where:
Base-Base interactions energy: -133.810
where: short stacking energy: -68.173
Base-Backbone interact. energy: -0.279
local terms energy: -66.668730
where:
bonds (distance) C4'-P energy: -15.745
bonds (distance) P-C4' energy: -11.412
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -7.399
tors. eta vs tors. theta energy: -17.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -181.763079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.763079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.763079 (E_RNA)
where:
Base-Base interactions energy: -118.149
where: short stacking energy: -57.209
Base-Backbone interact. energy: -0.004
local terms energy: -63.610759
where:
bonds (distance) C4'-P energy: -11.439
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -11.777
flat angles P-C4'-P energy: -6.906
tors. eta vs tors. theta energy: -17.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -190.292612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.292612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.292612 (E_RNA)
where:
Base-Base interactions energy: -122.654
where: short stacking energy: -52.681
Base-Backbone interact. energy: -0.998
local terms energy: -66.640124
where:
bonds (distance) C4'-P energy: -9.657
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -16.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -87.125130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.125130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.125130 (E_RNA)
where:
Base-Base interactions energy: -44.404
where: short stacking energy: -36.330
Base-Backbone interact. energy: 0.553
local terms energy: -43.273934
where:
bonds (distance) C4'-P energy: -10.287
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -5.133
flat angles P-C4'-P energy: -6.563
tors. eta vs tors. theta energy: -4.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -81.514848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.514848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.514848 (E_RNA)
where:
Base-Base interactions energy: -28.903
where: short stacking energy: -28.903
Base-Backbone interact. energy: -0.117
local terms energy: -52.494432
where:
bonds (distance) C4'-P energy: -9.892
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -5.607
tors. eta vs tors. theta energy: -4.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -82.770594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.770594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.770594 (E_RNA)
where:
Base-Base interactions energy: -29.132
where: short stacking energy: -24.302
Base-Backbone interact. energy: 0.589
local terms energy: -54.227694
where:
bonds (distance) C4'-P energy: -9.857
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: -5.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -237.427829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.427829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.427829 (E_RNA)
where:
Base-Base interactions energy: -156.775
where: short stacking energy: -73.162
Base-Backbone interact. energy: -0.000
local terms energy: -80.652330
where:
bonds (distance) C4'-P energy: -16.348
bonds (distance) P-C4' energy: -15.978
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -13.916
tors. eta vs tors. theta energy: -20.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -221.771200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.771200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.771200 (E_RNA)
where:
Base-Base interactions energy: -151.648
where: short stacking energy: -68.785
Base-Backbone interact. energy: -0.001
local terms energy: -70.121940
where:
bonds (distance) C4'-P energy: -6.888
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -9.637
flat angles P-C4'-P energy: -14.298
tors. eta vs tors. theta energy: -22.237
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: 10
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -226.411125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.411125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.411125 (E_RNA)
where:
Base-Base interactions energy: -151.915
where: short stacking energy: -72.842
Base-Backbone interact. energy: -0.595
local terms energy: -73.901063
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -10.522
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -19.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -216.413022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.413022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.413022 (E_RNA)
where:
Base-Base interactions energy: -138.557
where: short stacking energy: -61.948
Base-Backbone interact. energy: -0.049
local terms energy: -77.806924
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -16.435
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -20.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -198.468369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.468369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.468369 (E_RNA)
where:
Base-Base interactions energy: -137.877
where: short stacking energy: -63.767
Base-Backbone interact. energy: -0.400
local terms energy: -60.192092
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -10.607
flat angles C4'-P-C4' energy: -11.819
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -13.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -183.977477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.977477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.977477 (E_RNA)
where:
Base-Base interactions energy: -125.829
where: short stacking energy: -55.767
Base-Backbone interact. energy: -1.140
local terms energy: -57.008295
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -10.817
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: -10.265
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: 499
Temperature: 1.200000
Total energy: -179.094833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.094833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.094833 (E_RNA)
where:
Base-Base interactions energy: -108.432
where: short stacking energy: -51.668
Base-Backbone interact. energy: -0.092
local terms energy: -70.571252
where:
bonds (distance) C4'-P energy: -15.234
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -16.680
flat angles P-C4'-P energy: -7.157
tors. eta vs tors. theta energy: -17.370
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: 8, replica: 1
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -85.592482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.592482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.592482 (E_RNA)
where:
Base-Base interactions energy: -32.034
where: short stacking energy: -24.767
Base-Backbone interact. energy: -0.001
local terms energy: -53.557467
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -9.167
flat angles P-C4'-P energy: -8.329
tors. eta vs tors. theta energy: -5.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -77.164230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.164230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.164230 (E_RNA)
where:
Base-Base interactions energy: -33.024
where: short stacking energy: -31.144
Base-Backbone interact. energy: 0.180
local terms energy: -44.319640
where:
bonds (distance) C4'-P energy: -9.768
bonds (distance) P-C4' energy: -7.993
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -3.689
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: 10, replica: 5
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -77.764138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.764138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.764138 (E_RNA)
where:
Base-Base interactions energy: -37.394
where: short stacking energy: -24.395
Base-Backbone interact. energy: -0.241
local terms energy: -40.128854
where:
bonds (distance) C4'-P energy: -9.160
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -10.338
flat angles P-C4'-P energy: -5.817
tors. eta vs tors. theta energy: -0.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -229.718768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.718768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.718768 (E_RNA)
where:
Base-Base interactions energy: -155.221
where: short stacking energy: -74.079
Base-Backbone interact. energy: -0.004
local terms energy: -74.493856
where:
bonds (distance) C4'-P energy: -11.492
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -13.569
tors. eta vs tors. theta energy: -20.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -226.546777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.546777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.546777 (E_RNA)
where:
Base-Base interactions energy: -152.134
where: short stacking energy: -76.554
Base-Backbone interact. energy: -0.732
local terms energy: -73.680299
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -19.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -223.424034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.424034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.424034 (E_RNA)
where:
Base-Base interactions energy: -149.461
where: short stacking energy: -74.269
Base-Backbone interact. energy: -0.333
local terms energy: -73.629709
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -9.532
flat angles C4'-P-C4' energy: -17.537
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -19.586
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: 10
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -223.116013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.116013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.116013 (E_RNA)
where:
Base-Base interactions energy: -147.237
where: short stacking energy: -68.123
Base-Backbone interact. energy: 0.396
local terms energy: -76.275211
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -20.515
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: 500
Temperature: 1.100000
Total energy: -224.262486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.262486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.262486 (E_RNA)
where:
Base-Base interactions energy: -153.595
where: short stacking energy: -71.298
Base-Backbone interact. energy: -0.072
local terms energy: -70.594632
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -7.905
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -18.884
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: 2
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -190.739112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.739112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.739112 (E_RNA)
where:
Base-Base interactions energy: -121.187
where: short stacking energy: -58.160
Base-Backbone interact. energy: -1.119
local terms energy: -68.433012
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -16.978
flat angles P-C4'-P energy: -7.213
tors. eta vs tors. theta energy: -18.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -166.799374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.799374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.799374 (E_RNA)
where:
Base-Base interactions energy: -108.076
where: short stacking energy: -52.394
Base-Backbone interact. energy: -0.184
local terms energy: -58.539743
where:
bonds (distance) C4'-P energy: -8.591
bonds (distance) P-C4' energy: -12.382
flat angles C4'-P-C4' energy: -18.126
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: -9.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -82.914513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.914513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.914513 (E_RNA)
where:
Base-Base interactions energy: -36.310
where: short stacking energy: -32.419
Base-Backbone interact. energy: -0.232
local terms energy: -46.372404
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -11.921
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -5.301
tors. eta vs tors. theta energy: -2.570
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: 9, replica: 9
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -92.805205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.805205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.805205 (E_RNA)
where:
Base-Base interactions energy: -37.768
where: short stacking energy: -33.807
Base-Backbone interact. energy: -0.444
local terms energy: -54.593826
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -2.903
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: 5
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -78.140295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.140295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.140295 (E_RNA)
where:
Base-Base interactions energy: -39.052
where: short stacking energy: -25.848
Base-Backbone interact. energy: -0.128
local terms energy: -38.960225
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -6.460
flat angles C4'-P-C4' energy: -8.717
flat angles P-C4'-P energy: -11.280
tors. eta vs tors. theta energy: -0.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -235.623139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.623139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.623139 (E_RNA)
where:
Base-Base interactions energy: -155.072
where: short stacking energy: -73.403
Base-Backbone interact. energy: -0.018
local terms energy: -80.532560
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -19.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -220.436314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.436314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.436314 (E_RNA)
where:
Base-Base interactions energy: -142.526
where: short stacking energy: -72.472
Base-Backbone interact. energy: -0.001
local terms energy: -77.909659
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -18.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -213.955032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.955032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.955032 (E_RNA)
where:
Base-Base interactions energy: -145.119
where: short stacking energy: -70.219
Base-Backbone interact. energy: -0.031
local terms energy: -68.804936
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -13.804
flat angles C4'-P-C4' energy: -11.374
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -18.576
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: 4, replica: 10
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -225.493484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.493484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.493484 (E_RNA)
where:
Base-Base interactions energy: -148.940
where: short stacking energy: -71.830
Base-Backbone interact. energy: -0.298
local terms energy: -76.255864
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -16.359
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -16.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -213.401570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.401570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.401570 (E_RNA)
where:
Base-Base interactions energy: -136.497
where: short stacking energy: -61.675
Base-Backbone interact. energy: -1.349
local terms energy: -75.555318
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -11.930
tors. eta vs tors. theta energy: -16.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -202.604783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.604783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.604783 (E_RNA)
where:
Base-Base interactions energy: -134.052
where: short stacking energy: -66.205
Base-Backbone interact. energy: 0.283
local terms energy: -68.836120
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -15.619
flat angles C4'-P-C4' energy: -12.674
flat angles P-C4'-P energy: -9.154
tors. eta vs tors. theta energy: -18.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -149.328973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.328973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.328973 (E_RNA)
where:
Base-Base interactions energy: -91.553
where: short stacking energy: -53.904
Base-Backbone interact. energy: -0.119
local terms energy: -57.656719
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -10.994
flat angles P-C4'-P energy: -7.530
tors. eta vs tors. theta energy: -13.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -79.889648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.889648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.889648 (E_RNA)
where:
Base-Base interactions energy: -24.979
where: short stacking energy: -24.979
Base-Backbone interact. energy: -0.171
local terms energy: -54.739421
where:
bonds (distance) C4'-P energy: -17.622
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -11.134
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: 2.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -80.155839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.155839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.155839 (E_RNA)
where:
Base-Base interactions energy: -38.719
where: short stacking energy: -38.719
Base-Backbone interact. energy: -0.051
local terms energy: -41.385969
where:
bonds (distance) C4'-P energy: -5.918
bonds (distance) P-C4' energy: -10.477
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -6.151
tors. eta vs tors. theta energy: -6.599
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: 10, replica: 5
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -85.934231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.934231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.934231 (E_RNA)
where:
Base-Base interactions energy: -46.090
where: short stacking energy: -33.435
Base-Backbone interact. energy: -0.069
local terms energy: -39.775847
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -13.015
flat angles C4'-P-C4' energy: -12.231
flat angles P-C4'-P energy: -6.563
tors. eta vs tors. theta energy: 3.359
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)
replica 8 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 13910201
moves confirmed later: 15929819
all moves confirmed: 29840020
percent of confirmed moves: 3.730002
current total energy: -222.224331
recalc. total energy: -222.224331
replica 7 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 13252860
moves confirmed later: 15079050
all moves confirmed: 28331910
percent of confirmed moves: 3.541489
current total energy: -189.752447
recalc. total energy: -189.752447
replica 10 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 12409569
moves confirmed later: 13965382
all moves confirmed: 26374951
percent of confirmed moves: 3.296869
current total energy: -168.087848
recalc. total energy: -168.087848
replica 6 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 13310271
moves confirmed later: 15125190
all moves confirmed: 28435461
percent of confirmed moves: 3.554433
current total energy: -175.890356
recalc. total energy: -175.890356
replica 2 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 11803546
moves confirmed later: 13102555
all moves confirmed: 24906101
percent of confirmed moves: 3.113263
current total energy: -145.552443
recalc. total energy: -145.552443
replica 3 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 15544413
moves confirmed later: 18066410
all moves confirmed: 33610823
percent of confirmed moves: 4.201353
current total energy: -147.077664
recalc. total energy: -147.077664
replica 4 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 20290685
moves confirmed later: 24425764
all moves confirmed: 44716449
percent of confirmed moves: 5.589556
current total energy: -85.485708
recalc. total energy: -85.485708
replica 9 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 23706402
moves confirmed later: 28966403
all moves confirmed: 52672805
percent of confirmed moves: 6.584101
current total energy: -27.079330
recalc. total energy: -27.079330
replica 1 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 21518559
moves confirmed later: 26048917
all moves confirmed: 47567476
percent of confirmed moves: 5.945934
current total energy: -41.599937
recalc. total energy: -41.599937
replica 5 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 23847707
moves confirmed later: 29162535
all moves confirmed: 53010242
percent of confirmed moves: 6.626280
current total energy: -24.698630
recalc. total energy: -24.698630
out arg RESULTS//1/WNV-p-aca772b2_01
Time of doing 8000000 iterations: 3929.585 seconds