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/USUV-f9168305/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-f9168305/inputs/seq.fa: 1
curr_seq: _GGGAACUAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUAGACCACAGGAUCU
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/USUV-f9168305/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-f9168305/inputs/seq.fa: 1
curr_seq: _GGGAACUAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUAGACCACAGGAUCU
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/USUV-f9168305/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-f9168305/inputs/seq.fa: 1
curr_seq: _GGGAACUAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUAGACCACAGGAUCU
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/USUV-f9168305/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-f9168305/inputs/seq.fa: 1
curr_seq: _GGGAACUAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUAGACCACAGGAUCU
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/USUV-f9168305/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-f9168305/inputs/seq.fa: 1
curr_seq: _GGGAACUAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUAGACCACAGGAUCU
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/USUV-f9168305/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-f9168305/inputs/seq.fa: 1
curr_seq: _GGGAACUAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUAGACCACAGGAUCU
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/USUV-f9168305/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-f9168305/inputs/seq.fa: 1
curr_seq: _GGGAACUAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUAGACCACAGGAUCU
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/USUV-f9168305/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-f9168305/inputs/seq.fa: 1
curr_seq: _GGGAACUAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUAGACCACAGGAUCU
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/USUV-f9168305/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-f9168305/inputs/seq.fa: 1
curr_seq: _GGGAACUAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUAGACCACAGGAUCU
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/USUV-f9168305/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-f9168305/inputs/seq.fa: 1
curr_seq: _GGGAACUAGACCACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUAGACCACAGGAUCU
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: -78.076429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.076429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.076429 (E_RNA)
where:
Base-Base interactions energy: 0.106
where: short stacking energy: 0.106
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: -78.076429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.076429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.076429 (E_RNA)
where:
Base-Base interactions energy: 0.106
where: short stacking energy: 0.106
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: -78.076429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.076429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.076429 (E_RNA)
where:
Base-Base interactions energy: 0.106
where: short stacking energy: 0.106
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: -78.076429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.076429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.076429 (E_RNA)
where:
Base-Base interactions energy: 0.106
where: short stacking energy: 0.106
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: -78.076429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.076429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.076429 (E_RNA)
where:
Base-Base interactions energy: 0.106
where: short stacking energy: 0.106
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: -78.076429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.076429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.076429 (E_RNA)
where:
Base-Base interactions energy: 0.106
where: short stacking energy: 0.106
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: -78.076429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.076429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.076429 (E_RNA)
where:
Base-Base interactions energy: 0.106
where: short stacking energy: 0.106
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: -78.076429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.076429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.076429 (E_RNA)
where:
Base-Base interactions energy: 0.106
where: short stacking energy: 0.106
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: -78.076429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.076429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.076429 (E_RNA)
where:
Base-Base interactions energy: 0.106
where: short stacking energy: 0.106
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: -78.076429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.076429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.076429 (E_RNA)
where:
Base-Base interactions energy: 0.106
where: short stacking energy: 0.106
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: -138.865040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.865040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.865040 (E_RNA)
where:
Base-Base interactions energy: -66.487
where: short stacking energy: -66.487
Base-Backbone interact. energy: -0.003
local terms energy: -72.375736
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -15.628
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -17.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -128.923886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.923886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.923886 (E_RNA)
where:
Base-Base interactions energy: -63.775
where: short stacking energy: -46.452
Base-Backbone interact. energy: -0.191
local terms energy: -64.957925
where:
bonds (distance) C4'-P energy: -10.853
bonds (distance) P-C4' energy: -18.004
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -11.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -116.934024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.934024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.934024 (E_RNA)
where:
Base-Base interactions energy: -60.511
where: short stacking energy: -34.048
Base-Backbone interact. energy: -0.679
local terms energy: -55.743749
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: -4.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -122.134121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.134121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.134121 (E_RNA)
where:
Base-Base interactions energy: -51.349
where: short stacking energy: -51.349
Base-Backbone interact. energy: -0.175
local terms energy: -70.609635
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -13.471
tors. eta vs tors. theta energy: -12.163
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: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -122.726585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.726585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.726585 (E_RNA)
where:
Base-Base interactions energy: -65.638
where: short stacking energy: -42.579
Base-Backbone interact. energy: -0.134
local terms energy: -56.953903
where:
bonds (distance) C4'-P energy: -11.781
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -10.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -94.162013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.162013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.162013 (E_RNA)
where:
Base-Base interactions energy: -43.760
where: short stacking energy: -33.452
Base-Backbone interact. energy: -0.037
local terms energy: -50.365539
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -9.929
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -7.275
tors. eta vs tors. theta energy: -4.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -110.404563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.404563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.404563 (E_RNA)
where:
Base-Base interactions energy: -57.653
where: short stacking energy: -34.867
Base-Backbone interact. energy: 0.058
local terms energy: -52.809781
where:
bonds (distance) C4'-P energy: -8.449
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -3.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -95.652177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.652177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.652177 (E_RNA)
where:
Base-Base interactions energy: -34.620
where: short stacking energy: -34.028
Base-Backbone interact. energy: -0.207
local terms energy: -60.825053
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -7.304
tors. eta vs tors. theta energy: -4.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -78.490356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.490356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.490356 (E_RNA)
where:
Base-Base interactions energy: -16.418
where: short stacking energy: -16.219
Base-Backbone interact. energy: -1.152
local terms energy: -60.920896
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -17.395
flat angles C4'-P-C4' energy: -10.848
flat angles P-C4'-P energy: -10.718
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: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -77.824651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.824651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.824651 (E_RNA)
where:
Base-Base interactions energy: -0.757
where: short stacking energy: -0.757
Base-Backbone interact. energy: -0.000
local terms energy: -77.067151
where:
bonds (distance) C4'-P energy: -20.287
bonds (distance) P-C4' energy: -19.676
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -17.478
tors. eta vs tors. theta energy: -4.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -133.569375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.569375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.569375 (E_RNA)
where:
Base-Base interactions energy: -65.010
where: short stacking energy: -55.691
Base-Backbone interact. energy: -0.065
local terms energy: -68.494895
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -12.075
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: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -138.020610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.020610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.020610 (E_RNA)
where:
Base-Base interactions energy: -63.518
where: short stacking energy: -54.093
Base-Backbone interact. energy: -0.496
local terms energy: -74.007151
where:
bonds (distance) C4'-P energy: -18.048
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -12.293
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: 3
Temperature: 1.000000
Total energy: -128.800647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.800647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.800647 (E_RNA)
where:
Base-Base interactions energy: -66.308
where: short stacking energy: -47.573
Base-Backbone interact. energy: -0.182
local terms energy: -62.310978
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -12.773
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -10.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -137.753367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.753367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.753367 (E_RNA)
where:
Base-Base interactions energy: -76.048
where: short stacking energy: -45.999
Base-Backbone interact. energy: -0.145
local terms energy: -61.560230
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -11.795
flat angles P-C4'-P energy: -10.285
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: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -108.230688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.230688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.230688 (E_RNA)
where:
Base-Base interactions energy: -38.458
where: short stacking energy: -38.458
Base-Backbone interact. energy: -0.082
local terms energy: -69.691040
where:
bonds (distance) C4'-P energy: -16.544
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -12.397
tors. eta vs tors. theta energy: -7.286
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: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -106.288448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.288448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.288448 (E_RNA)
where:
Base-Base interactions energy: -62.744
where: short stacking energy: -27.002
Base-Backbone interact. energy: -1.251
local terms energy: -42.293068
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -5.340
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: 0.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -95.574840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.574840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.574840 (E_RNA)
where:
Base-Base interactions energy: -48.072
where: short stacking energy: -33.551
Base-Backbone interact. energy: -0.430
local terms energy: -47.072681
where:
bonds (distance) C4'-P energy: -10.274
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -11.261
flat angles P-C4'-P energy: -6.564
tors. eta vs tors. theta energy: -0.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -88.197409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.197409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.197409 (E_RNA)
where:
Base-Base interactions energy: -41.558
where: short stacking energy: -24.421
Base-Backbone interact. energy: -0.145
local terms energy: -46.495107
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -11.200
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -6.624
tors. eta vs tors. theta energy: -2.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -77.319642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.319642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.319642 (E_RNA)
where:
Base-Base interactions energy: -38.969
where: short stacking energy: -24.738
Base-Backbone interact. energy: -0.626
local terms energy: -37.723852
where:
bonds (distance) C4'-P energy: -10.725
bonds (distance) P-C4' energy: -12.245
flat angles C4'-P-C4' energy: -10.567
flat angles P-C4'-P energy: -3.909
tors. eta vs tors. theta energy: -0.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -74.585740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.585740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.585740 (E_RNA)
where:
Base-Base interactions energy: -24.134
where: short stacking energy: -21.872
Base-Backbone interact. energy: -0.085
local terms energy: -50.367481
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -13.168
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: 1.847
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: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -122.157074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.157074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.157074 (E_RNA)
where:
Base-Base interactions energy: -53.270
where: short stacking energy: -53.341
Base-Backbone interact. energy: -0.090
local terms energy: -68.796857
where:
bonds (distance) C4'-P energy: -10.700
bonds (distance) P-C4' energy: -17.496
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -11.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -132.231274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.231274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.231274 (E_RNA)
where:
Base-Base interactions energy: -57.990
where: short stacking energy: -53.158
Base-Backbone interact. energy: -0.107
local terms energy: -74.134056
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -10.771
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: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -144.752048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.752048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.752048 (E_RNA)
where:
Base-Base interactions energy: -84.086
where: short stacking energy: -47.919
Base-Backbone interact. energy: -0.653
local terms energy: -60.012666
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -2.107
tors. eta vs tors. theta energy: -10.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -110.875739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.875739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.875739 (E_RNA)
where:
Base-Base interactions energy: -55.596
where: short stacking energy: -47.200
Base-Backbone interact. energy: -0.176
local terms energy: -55.103630
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -10.056
flat angles C4'-P-C4' energy: -12.609
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: -9.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -117.195151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.195151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.195151 (E_RNA)
where:
Base-Base interactions energy: -60.187
where: short stacking energy: -30.789
Base-Backbone interact. energy: -0.038
local terms energy: -56.969408
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -13.161
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -5.883
tors. eta vs tors. theta energy: -9.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -91.125445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.125445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.125445 (E_RNA)
where:
Base-Base interactions energy: -41.091
where: short stacking energy: -40.572
Base-Backbone interact. energy: -0.187
local terms energy: -49.846704
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -13.693
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -7.254
tors. eta vs tors. theta energy: -2.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -92.255816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.255816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.255816 (E_RNA)
where:
Base-Base interactions energy: -35.218
where: short stacking energy: -34.478
Base-Backbone interact. energy: 0.171
local terms energy: -57.208819
where:
bonds (distance) C4'-P energy: -9.051
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -12.520
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -9.419
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: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -79.913545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.913545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.913545 (E_RNA)
where:
Base-Base interactions energy: -34.777
where: short stacking energy: -22.435
Base-Backbone interact. energy: 2.383
local terms energy: -47.519040
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -11.669
flat angles P-C4'-P energy: -7.532
tors. eta vs tors. theta energy: -1.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -92.064964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.064964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.064964 (E_RNA)
where:
Base-Base interactions energy: -35.840
where: short stacking energy: -29.124
Base-Backbone interact. energy: 0.243
local terms energy: -56.467733
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -9.506
flat angles P-C4'-P energy: -6.724
tors. eta vs tors. theta energy: -11.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -82.825471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.825471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.825471 (E_RNA)
where:
Base-Base interactions energy: -33.653
where: short stacking energy: -33.291
Base-Backbone interact. energy: 0.227
local terms energy: -49.398803
where:
bonds (distance) C4'-P energy: -8.866
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -6.425
tors. eta vs tors. theta energy: -4.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -142.155395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.155395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.155395 (E_RNA)
where:
Base-Base interactions energy: -71.763
where: short stacking energy: -60.642
Base-Backbone interact. energy: -0.008
local terms energy: -70.384809
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -16.850
flat angles P-C4'-P energy: -11.093
tors. eta vs tors. theta energy: -13.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -161.385477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.385477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.385477 (E_RNA)
where:
Base-Base interactions energy: -97.334
where: short stacking energy: -44.710
Base-Backbone interact. energy: -0.824
local terms energy: -63.227894
where:
bonds (distance) C4'-P energy: -13.877
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -10.069
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: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -127.523308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.523308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.523308 (E_RNA)
where:
Base-Base interactions energy: -64.962
where: short stacking energy: -48.131
Base-Backbone interact. energy: -1.127
local terms energy: -61.434365
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -9.241
flat angles P-C4'-P energy: -14.421
tors. eta vs tors. theta energy: -9.993
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: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -159.620774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.620774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.620774 (E_RNA)
where:
Base-Base interactions energy: -88.464
where: short stacking energy: -47.923
Base-Backbone interact. energy: 0.607
local terms energy: -71.763240
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -17.652
flat angles P-C4'-P energy: -10.797
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: 5, replica: 2
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -119.689370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.689370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.689370 (E_RNA)
where:
Base-Base interactions energy: -73.471
where: short stacking energy: -44.350
Base-Backbone interact. energy: -0.257
local terms energy: -45.961374
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -15.826
flat angles C4'-P-C4' energy: -7.210
flat angles P-C4'-P energy: -7.888
tors. eta vs tors. theta energy: -4.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -96.591207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.591207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.591207 (E_RNA)
where:
Base-Base interactions energy: -38.721
where: short stacking energy: -38.721
Base-Backbone interact. energy: 0.150
local terms energy: -58.020453
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -4.242
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: 7, replica: 4
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -89.249973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.249973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.249973 (E_RNA)
where:
Base-Base interactions energy: -41.008
where: short stacking energy: -35.821
Base-Backbone interact. energy: -0.130
local terms energy: -48.112295
where:
bonds (distance) C4'-P energy: -9.527
bonds (distance) P-C4' energy: -15.574
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: 0.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -88.494417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.494417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.494417 (E_RNA)
where:
Base-Base interactions energy: -43.546
where: short stacking energy: -43.546
Base-Backbone interact. energy: -0.074
local terms energy: -44.873968
where:
bonds (distance) C4'-P energy: -7.483
bonds (distance) P-C4' energy: -13.114
flat angles C4'-P-C4' energy: -9.853
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -6.631
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: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -93.909425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.909425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.909425 (E_RNA)
where:
Base-Base interactions energy: -52.827
where: short stacking energy: -25.567
Base-Backbone interact. energy: -0.260
local terms energy: -40.822240
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -8.912
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -3.780
tors. eta vs tors. theta energy: -2.632
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: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -99.075048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.075048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.075048 (E_RNA)
where:
Base-Base interactions energy: -51.621
where: short stacking energy: -26.286
Base-Backbone interact. energy: -0.199
local terms energy: -47.254261
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -8.101
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -6.179
tors. eta vs tors. theta energy: -4.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -164.038255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.038255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.038255 (E_RNA)
where:
Base-Base interactions energy: -95.690
where: short stacking energy: -54.448
Base-Backbone interact. energy: -0.251
local terms energy: -68.097087
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -12.926
tors. eta vs tors. theta energy: -10.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -150.706883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.706883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.706883 (E_RNA)
where:
Base-Base interactions energy: -92.730
where: short stacking energy: -44.128
Base-Backbone interact. energy: -1.008
local terms energy: -56.968378
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -11.050
flat angles C4'-P-C4' energy: -14.091
flat angles P-C4'-P energy: -4.033
tors. eta vs tors. theta energy: -15.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -162.323835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.323835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.323835 (E_RNA)
where:
Base-Base interactions energy: -100.079
where: short stacking energy: -53.902
Base-Backbone interact. energy: -0.066
local terms energy: -62.178744
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -7.513
tors. eta vs tors. theta energy: -11.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -120.572316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.572316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.572316 (E_RNA)
where:
Base-Base interactions energy: -63.069
where: short stacking energy: -41.274
Base-Backbone interact. energy: -0.687
local terms energy: -56.815620
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -11.149
flat angles P-C4'-P energy: -13.939
tors. eta vs tors. theta energy: -5.071
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: 6
Temperature: 1.100000
Total energy: -135.241201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.241201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.241201 (E_RNA)
where:
Base-Base interactions energy: -72.270
where: short stacking energy: -28.363
Base-Backbone interact. energy: -0.208
local terms energy: -62.763172
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -4.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -103.445598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.445598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.445598 (E_RNA)
where:
Base-Base interactions energy: -55.527
where: short stacking energy: -30.071
Base-Backbone interact. energy: -0.182
local terms energy: -47.736920
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -13.357
flat angles C4'-P-C4' energy: -10.736
flat angles P-C4'-P energy: -8.212
tors. eta vs tors. theta energy: -1.454
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: 4
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -90.248919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.248919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.248919 (E_RNA)
where:
Base-Base interactions energy: -42.340
where: short stacking energy: -42.440
Base-Backbone interact. energy: -0.264
local terms energy: -47.645647
where:
bonds (distance) C4'-P energy: -9.231
bonds (distance) P-C4' energy: -14.003
flat angles C4'-P-C4' energy: -12.922
flat angles P-C4'-P energy: -3.184
tors. eta vs tors. theta energy: -8.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -80.947046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.947046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.947046 (E_RNA)
where:
Base-Base interactions energy: -36.842
where: short stacking energy: -24.743
Base-Backbone interact. energy: -0.707
local terms energy: -43.397513
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -8.882
flat angles P-C4'-P energy: -7.456
tors. eta vs tors. theta energy: 1.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -74.916033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.916033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.916033 (E_RNA)
where:
Base-Base interactions energy: -23.165
where: short stacking energy: -23.165
Base-Backbone interact. energy: -0.328
local terms energy: -51.423026
where:
bonds (distance) C4'-P energy: -11.459
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -0.089
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: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -81.181915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.181915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.181915 (E_RNA)
where:
Base-Base interactions energy: -29.394
where: short stacking energy: -28.316
Base-Backbone interact. energy: -0.030
local terms energy: -51.757292
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -10.222
flat angles P-C4'-P energy: -6.957
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: 1, replica: 5
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -172.037705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.037705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.037705 (E_RNA)
where:
Base-Base interactions energy: -107.177
where: short stacking energy: -63.163
Base-Backbone interact. energy: -0.748
local terms energy: -64.112192
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -5.685
tors. eta vs tors. theta energy: -13.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -179.078543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.078543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.078543 (E_RNA)
where:
Base-Base interactions energy: -102.110
where: short stacking energy: -55.828
Base-Backbone interact. energy: -0.070
local terms energy: -76.898321
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -15.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -145.672102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.672102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.672102 (E_RNA)
where:
Base-Base interactions energy: -77.391
where: short stacking energy: -54.795
Base-Backbone interact. energy: -0.147
local terms energy: -68.134175
where:
bonds (distance) C4'-P energy: -9.284
bonds (distance) P-C4' energy: -17.998
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -10.934
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: 4, replica: 2
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -135.519151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.519151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.519151 (E_RNA)
where:
Base-Base interactions energy: -85.043
where: short stacking energy: -40.009
Base-Backbone interact. energy: 0.110
local terms energy: -50.585338
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -4.244
tors. eta vs tors. theta energy: -5.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -107.552879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.552879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.552879 (E_RNA)
where:
Base-Base interactions energy: -49.399
where: short stacking energy: -30.751
Base-Backbone interact. energy: -0.450
local terms energy: -57.704160
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -8.016
tors. eta vs tors. theta energy: -4.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -128.571740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.571740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.571740 (E_RNA)
where:
Base-Base interactions energy: -74.021
where: short stacking energy: -45.757
Base-Backbone interact. energy: 0.290
local terms energy: -54.841105
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -13.552
flat angles C4'-P-C4' energy: -12.337
flat angles P-C4'-P energy: -6.832
tors. eta vs tors. theta energy: -6.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -97.822094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.822094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.822094 (E_RNA)
where:
Base-Base interactions energy: -43.679
where: short stacking energy: -20.971
Base-Backbone interact. energy: -0.112
local terms energy: -54.030347
where:
bonds (distance) C4'-P energy: -10.186
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -15.023
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -2.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -81.988066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.988066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.988066 (E_RNA)
where:
Base-Base interactions energy: -35.209
where: short stacking energy: -22.849
Base-Backbone interact. energy: -0.259
local terms energy: -46.520220
where:
bonds (distance) C4'-P energy: -11.303
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -11.624
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -0.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -81.335000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.335000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.335000 (E_RNA)
where:
Base-Base interactions energy: -33.907
where: short stacking energy: -17.976
Base-Backbone interact. energy: 2.441
local terms energy: -49.868674
where:
bonds (distance) C4'-P energy: -12.367
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -6.110
tors. eta vs tors. theta energy: -0.519
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: 6
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -89.074242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.074242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.074242 (E_RNA)
where:
Base-Base interactions energy: -33.638
where: short stacking energy: -28.574
Base-Backbone interact. energy: 3.615
local terms energy: -59.051212
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -7.584
tors. eta vs tors. theta energy: -6.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -206.271265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.271265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.271265 (E_RNA)
where:
Base-Base interactions energy: -130.155
where: short stacking energy: -66.333
Base-Backbone interact. energy: -0.007
local terms energy: -76.108879
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -11.822
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: 2, replica: 5
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -185.093901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.093901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.093901 (E_RNA)
where:
Base-Base interactions energy: -124.566
where: short stacking energy: -52.703
Base-Backbone interact. energy: 0.900
local terms energy: -61.428092
where:
bonds (distance) C4'-P energy: -8.570
bonds (distance) P-C4' energy: -15.073
flat angles C4'-P-C4' energy: -11.994
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -16.063
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: 3, replica: 2
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -171.751014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.751014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.751014 (E_RNA)
where:
Base-Base interactions energy: -105.385
where: short stacking energy: -50.811
Base-Backbone interact. energy: -0.513
local terms energy: -65.853349
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -3.953
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: 4, replica: 1
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -109.534372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.534372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.534372 (E_RNA)
where:
Base-Base interactions energy: -41.892
where: short stacking energy: -41.892
Base-Backbone interact. energy: -0.148
local terms energy: -67.493693
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -17.549
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -9.098
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: 9
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -174.187292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.187292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.187292 (E_RNA)
where:
Base-Base interactions energy: -118.150
where: short stacking energy: -52.434
Base-Backbone interact. energy: 0.810
local terms energy: -56.846856
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -10.658
flat angles P-C4'-P energy: -7.024
tors. eta vs tors. theta energy: -9.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -101.539067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.539067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.539067 (E_RNA)
where:
Base-Base interactions energy: -42.708
where: short stacking energy: -41.844
Base-Backbone interact. energy: -0.078
local terms energy: -58.753484
where:
bonds (distance) C4'-P energy: -11.563
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -9.371
tors. eta vs tors. theta energy: -6.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -92.584096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.584096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.584096 (E_RNA)
where:
Base-Base interactions energy: -44.023
where: short stacking energy: -36.496
Base-Backbone interact. energy: -0.787
local terms energy: -47.774365
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -9.117
flat angles P-C4'-P energy: -5.001
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: 8, replica: 8
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -97.282519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.282519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.282519 (E_RNA)
where:
Base-Base interactions energy: -45.650
where: short stacking energy: -45.797
Base-Backbone interact. energy: -0.748
local terms energy: -50.884525
where:
bonds (distance) C4'-P energy: -8.730
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -9.172
flat angles P-C4'-P energy: -13.279
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: 9, replica: 10
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -98.231919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.231919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.231919 (E_RNA)
where:
Base-Base interactions energy: -46.490
where: short stacking energy: -36.421
Base-Backbone interact. energy: -0.035
local terms energy: -51.707003
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -11.316
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -5.110
tors. eta vs tors. theta energy: -8.432
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: 10, replica: 6
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -84.121407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.121407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.121407 (E_RNA)
where:
Base-Base interactions energy: -30.555
where: short stacking energy: -29.224
Base-Backbone interact. energy: -0.162
local terms energy: -53.404123
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -7.517
tors. eta vs tors. theta energy: -2.781
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: 7
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -209.931352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.931352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.931352 (E_RNA)
where:
Base-Base interactions energy: -134.070
where: short stacking energy: -71.371
Base-Backbone interact. energy: -0.000
local terms energy: -75.860600
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -8.563
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: 2, replica: 5
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -186.099623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.099623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.099623 (E_RNA)
where:
Base-Base interactions energy: -115.587
where: short stacking energy: -58.152
Base-Backbone interact. energy: -0.136
local terms energy: -70.376527
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -11.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -174.919646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.919646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.919646 (E_RNA)
where:
Base-Base interactions energy: -118.618
where: short stacking energy: -54.836
Base-Backbone interact. energy: -0.347
local terms energy: -55.954863
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -3.130
tors. eta vs tors. theta energy: -11.099
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: 9
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -181.461869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.461869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.461869 (E_RNA)
where:
Base-Base interactions energy: -121.231
where: short stacking energy: -55.910
Base-Backbone interact. energy: -0.490
local terms energy: -59.740724
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -4.417
tors. eta vs tors. theta energy: -11.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -109.168331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.168331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.168331 (E_RNA)
where:
Base-Base interactions energy: -47.911
where: short stacking energy: -47.911
Base-Backbone interact. energy: -0.052
local terms energy: -61.205520
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -11.371
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -11.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -96.833726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.833726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.833726 (E_RNA)
where:
Base-Base interactions energy: -41.148
where: short stacking energy: -41.148
Base-Backbone interact. energy: -0.271
local terms energy: -55.415211
where:
bonds (distance) C4'-P energy: -14.014
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -11.292
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -4.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -90.231173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.231173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.231173 (E_RNA)
where:
Base-Base interactions energy: -35.230
where: short stacking energy: -34.224
Base-Backbone interact. energy: -0.448
local terms energy: -54.553981
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -13.107
flat angles P-C4'-P energy: -5.931
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: 8, replica: 10
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -83.679304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.679304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.679304 (E_RNA)
where:
Base-Base interactions energy: -31.357
where: short stacking energy: -24.191
Base-Backbone interact. energy: -0.277
local terms energy: -52.045512
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -7.490
tors. eta vs tors. theta energy: -5.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -80.225660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.225660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.225660 (E_RNA)
where:
Base-Base interactions energy: -22.318
where: short stacking energy: -22.297
Base-Backbone interact. energy: -0.057
local terms energy: -57.850614
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -10.229
flat angles P-C4'-P energy: -12.767
tors. eta vs tors. theta energy: -1.463
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: 6
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -88.712831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.712831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.712831 (E_RNA)
where:
Base-Base interactions energy: -41.208
where: short stacking energy: -34.733
Base-Backbone interact. energy: -0.234
local terms energy: -47.270732
where:
bonds (distance) C4'-P energy: -12.156
bonds (distance) P-C4' energy: -10.468
flat angles C4'-P-C4' energy: -10.613
flat angles P-C4'-P energy: -7.179
tors. eta vs tors. theta energy: -6.855
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: 7
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -208.347077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.347077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.347077 (E_RNA)
where:
Base-Base interactions energy: -129.866
where: short stacking energy: -69.735
Base-Backbone interact. energy: -0.004
local terms energy: -78.476365
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -12.148
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: 5
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -186.774795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.774795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.774795 (E_RNA)
where:
Base-Base interactions energy: -110.343
where: short stacking energy: -62.096
Base-Backbone interact. energy: 0.720
local terms energy: -77.151729
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -16.383
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: 2
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -192.675618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.675618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.675618 (E_RNA)
where:
Base-Base interactions energy: -125.794
where: short stacking energy: -61.120
Base-Backbone interact. energy: -0.372
local terms energy: -66.510278
where:
bonds (distance) C4'-P energy: -11.334
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -5.874
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: 4, replica: 9
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -199.616940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.616940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.616940 (E_RNA)
where:
Base-Base interactions energy: -133.659
where: short stacking energy: -61.376
Base-Backbone interact. energy: -0.145
local terms energy: -65.812869
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -14.182
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -8.683
tors. eta vs tors. theta energy: -13.006
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: 4
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -110.093503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.093503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.093503 (E_RNA)
where:
Base-Base interactions energy: -58.845
where: short stacking energy: -30.442
Base-Backbone interact. energy: -0.261
local terms energy: -50.987878
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -14.068
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -7.234
tors. eta vs tors. theta energy: -2.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -91.978770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.978770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.978770 (E_RNA)
where:
Base-Base interactions energy: -38.523
where: short stacking energy: -29.932
Base-Backbone interact. energy: -0.390
local terms energy: -53.066136
where:
bonds (distance) C4'-P energy: -10.310
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -8.625
flat angles P-C4'-P energy: -13.250
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: 7, replica: 10
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -102.558313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.558313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.558313 (E_RNA)
where:
Base-Base interactions energy: -42.732
where: short stacking energy: -35.173
Base-Backbone interact. energy: 2.422
local terms energy: -62.248088
where:
bonds (distance) C4'-P energy: -16.532
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -10.790
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -6.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -90.381650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.381650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.381650 (E_RNA)
where:
Base-Base interactions energy: -35.660
where: short stacking energy: -35.660
Base-Backbone interact. energy: -0.037
local terms energy: -54.684531
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -12.015
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -1.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -94.317303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.317303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.317303 (E_RNA)
where:
Base-Base interactions energy: -40.285
where: short stacking energy: -30.347
Base-Backbone interact. energy: -0.100
local terms energy: -53.931948
where:
bonds (distance) C4'-P energy: -9.905
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -16.102
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -3.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -110.255595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.255595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.255595 (E_RNA)
where:
Base-Base interactions energy: -63.705
where: short stacking energy: -35.554
Base-Backbone interact. energy: -0.019
local terms energy: -46.531470
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -7.938
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -3.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -207.133502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.133502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.133502 (E_RNA)
where:
Base-Base interactions energy: -144.487
where: short stacking energy: -60.641
Base-Backbone interact. energy: 0.193
local terms energy: -62.839581
where:
bonds (distance) C4'-P energy: -17.092
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -11.866
flat angles P-C4'-P energy: -5.315
tors. eta vs tors. theta energy: -14.666
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: 5
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -198.064892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.064892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.064892 (E_RNA)
where:
Base-Base interactions energy: -127.085
where: short stacking energy: -69.177
Base-Backbone interact. energy: -0.161
local terms energy: -70.818961
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -15.665
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -16.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -190.300198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.300198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.300198 (E_RNA)
where:
Base-Base interactions energy: -126.228
where: short stacking energy: -62.101
Base-Backbone interact. energy: -0.043
local terms energy: -64.028933
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -15.106
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: -13.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -182.786112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.786112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.786112 (E_RNA)
where:
Base-Base interactions energy: -116.941
where: short stacking energy: -61.024
Base-Backbone interact. energy: -0.241
local terms energy: -65.604715
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -15.351
flat angles C4'-P-C4' energy: -15.440
flat angles P-C4'-P energy: -6.302
tors. eta vs tors. theta energy: -13.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -122.409577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.409577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.409577 (E_RNA)
where:
Base-Base interactions energy: -66.747
where: short stacking energy: -35.062
Base-Backbone interact. energy: -0.070
local terms energy: -55.593122
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -13.637
flat angles C4'-P-C4' energy: -10.365
flat angles P-C4'-P energy: -7.770
tors. eta vs tors. theta energy: -7.141
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: 10
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -117.221687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.221687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.221687 (E_RNA)
where:
Base-Base interactions energy: -60.486
where: short stacking energy: -33.825
Base-Backbone interact. energy: -0.093
local terms energy: -56.643575
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -14.590
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -8.583
tors. eta vs tors. theta energy: -5.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -94.477360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.477360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.477360 (E_RNA)
where:
Base-Base interactions energy: -32.915
where: short stacking energy: -32.915
Base-Backbone interact. energy: 0.029
local terms energy: -61.591447
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -10.114
tors. eta vs tors. theta energy: -8.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -80.028883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.028883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.028883 (E_RNA)
where:
Base-Base interactions energy: -37.044
where: short stacking energy: -24.611
Base-Backbone interact. energy: -0.411
local terms energy: -42.574329
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -10.519
flat angles C4'-P-C4' energy: -12.044
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -0.445
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: 6
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -103.831404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.831404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.831404 (E_RNA)
where:
Base-Base interactions energy: -53.315
where: short stacking energy: -34.306
Base-Backbone interact. energy: 2.041
local terms energy: -52.557359
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -5.113
tors. eta vs tors. theta energy: -5.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -108.967580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.967580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.967580 (E_RNA)
where:
Base-Base interactions energy: -57.013
where: short stacking energy: -34.973
Base-Backbone interact. energy: 0.417
local terms energy: -52.370771
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -12.987
flat angles P-C4'-P energy: -7.053
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: 1, replica: 5
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -194.800922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.800922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.800922 (E_RNA)
where:
Base-Base interactions energy: -125.905
where: short stacking energy: -56.029
Base-Backbone interact. energy: -0.063
local terms energy: -68.832762
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -12.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -208.785544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.785544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.785544 (E_RNA)
where:
Base-Base interactions energy: -139.298
where: short stacking energy: -65.478
Base-Backbone interact. energy: -0.093
local terms energy: -69.394736
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -16.850
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: -15.103
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: 9
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -197.377971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.377971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.377971 (E_RNA)
where:
Base-Base interactions energy: -131.644
where: short stacking energy: -62.760
Base-Backbone interact. energy: -0.014
local terms energy: -65.719373
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -8.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -197.599007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.599007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.599007 (E_RNA)
where:
Base-Base interactions energy: -134.027
where: short stacking energy: -51.486
Base-Backbone interact. energy: -0.166
local terms energy: -63.406492
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -7.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -119.663906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.663906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.663906 (E_RNA)
where:
Base-Base interactions energy: -66.116
where: short stacking energy: -22.576
Base-Backbone interact. energy: -0.294
local terms energy: -53.254505
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -13.252
flat angles C4'-P-C4' energy: -11.710
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -3.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -115.663339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.663339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.663339 (E_RNA)
where:
Base-Base interactions energy: -61.623
where: short stacking energy: -42.890
Base-Backbone interact. energy: -0.829
local terms energy: -53.211895
where:
bonds (distance) C4'-P energy: -9.826
bonds (distance) P-C4' energy: -12.459
flat angles C4'-P-C4' energy: -17.052
flat angles P-C4'-P energy: -8.446
tors. eta vs tors. theta energy: -5.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -102.519786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.519786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.519786 (E_RNA)
where:
Base-Base interactions energy: -43.833
where: short stacking energy: -37.838
Base-Backbone interact. energy: -0.275
local terms energy: -58.411868
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -12.666
flat angles P-C4'-P energy: -4.379
tors. eta vs tors. theta energy: -12.210
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: 1
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -82.487623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.487623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.487623 (E_RNA)
where:
Base-Base interactions energy: -31.880
where: short stacking energy: -31.880
Base-Backbone interact. energy: -0.141
local terms energy: -50.467059
where:
bonds (distance) C4'-P energy: -10.915
bonds (distance) P-C4' energy: -11.227
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -7.793
tors. eta vs tors. theta energy: -5.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -102.711431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.711431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.711431 (E_RNA)
where:
Base-Base interactions energy: -50.690
where: short stacking energy: -33.086
Base-Backbone interact. energy: -0.068
local terms energy: -51.952905
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -4.889
tors. eta vs tors. theta energy: -4.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -77.383632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.383632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.383632 (E_RNA)
where:
Base-Base interactions energy: -28.138
where: short stacking energy: -28.138
Base-Backbone interact. energy: 0.577
local terms energy: -49.823136
where:
bonds (distance) C4'-P energy: -12.182
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -11.495
flat angles P-C4'-P energy: -11.699
tors. eta vs tors. theta energy: -0.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -188.822879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.822879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.822879 (E_RNA)
where:
Base-Base interactions energy: -118.791
where: short stacking energy: -52.668
Base-Backbone interact. energy: 1.594
local terms energy: -71.626072
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -18.785
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -12.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -217.989758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.989758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.989758 (E_RNA)
where:
Base-Base interactions energy: -145.265
where: short stacking energy: -62.831
Base-Backbone interact. energy: -0.298
local terms energy: -72.426896
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -17.366
flat angles P-C4'-P energy: -10.139
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: 3, replica: 9
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -191.928787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.928787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.928787 (E_RNA)
where:
Base-Base interactions energy: -122.485
where: short stacking energy: -55.408
Base-Backbone interact. energy: -0.001
local terms energy: -69.442696
where:
bonds (distance) C4'-P energy: -11.494
bonds (distance) P-C4' energy: -13.756
flat angles C4'-P-C4' energy: -18.659
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -15.146
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: 2
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -199.924568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.924568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.924568 (E_RNA)
where:
Base-Base interactions energy: -140.513
where: short stacking energy: -61.891
Base-Backbone interact. energy: -0.228
local terms energy: -59.183248
where:
bonds (distance) C4'-P energy: -11.893
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -6.378
tors. eta vs tors. theta energy: -9.650
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: 10
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -126.379134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.379134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.379134 (E_RNA)
where:
Base-Base interactions energy: -66.255
where: short stacking energy: -43.646
Base-Backbone interact. energy: -0.188
local terms energy: -59.936278
where:
bonds (distance) C4'-P energy: -12.067
bonds (distance) P-C4' energy: -18.441
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -3.788
tors. eta vs tors. theta energy: -9.788
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: 3
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -91.049498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.049498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.049498 (E_RNA)
where:
Base-Base interactions energy: -36.537
where: short stacking energy: -34.128
Base-Backbone interact. energy: -0.108
local terms energy: -54.404273
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -11.092
flat angles P-C4'-P energy: -6.539
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: 7, replica: 4
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -88.771909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.771909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.771909 (E_RNA)
where:
Base-Base interactions energy: -32.807
where: short stacking energy: -24.194
Base-Backbone interact. energy: -0.266
local terms energy: -55.698089
where:
bonds (distance) C4'-P energy: -13.181
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -3.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -139.018664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.018664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.018664 (E_RNA)
where:
Base-Base interactions energy: -77.854
where: short stacking energy: -38.322
Base-Backbone interact. energy: -0.010
local terms energy: -61.153797
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -11.278
flat angles P-C4'-P energy: -7.598
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: 9, replica: 1
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -81.834817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.834817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.834817 (E_RNA)
where:
Base-Base interactions energy: -37.524
where: short stacking energy: -36.275
Base-Backbone interact. energy: -0.087
local terms energy: -44.224254
where:
bonds (distance) C4'-P energy: -11.824
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -8.983
flat angles P-C4'-P energy: -5.680
tors. eta vs tors. theta energy: -2.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -78.402560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.402560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.402560 (E_RNA)
where:
Base-Base interactions energy: -27.498
where: short stacking energy: -20.541
Base-Backbone interact. energy: 0.939
local terms energy: -51.843638
where:
bonds (distance) C4'-P energy: -11.247
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -1.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -225.604563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.604563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.604563 (E_RNA)
where:
Base-Base interactions energy: -151.034
where: short stacking energy: -67.481
Base-Backbone interact. energy: -0.057
local terms energy: -74.513886
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -17.488
flat angles P-C4'-P energy: -6.447
tors. eta vs tors. theta energy: -20.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -186.909073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.909073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.909073 (E_RNA)
where:
Base-Base interactions energy: -125.830
where: short stacking energy: -65.860
Base-Backbone interact. energy: 0.646
local terms energy: -61.725280
where:
bonds (distance) C4'-P energy: -9.834
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -6.449
tors. eta vs tors. theta energy: -13.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -194.086427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.086427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.086427 (E_RNA)
where:
Base-Base interactions energy: -129.903
where: short stacking energy: -60.641
Base-Backbone interact. energy: -0.099
local terms energy: -64.085214
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -11.364
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: 4, replica: 2
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -189.389535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.389535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.389535 (E_RNA)
where:
Base-Base interactions energy: -123.861
where: short stacking energy: -56.823
Base-Backbone interact. energy: -0.286
local terms energy: -65.241991
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -15.912
flat angles C4'-P-C4' energy: -16.475
flat angles P-C4'-P energy: -7.571
tors. eta vs tors. theta energy: -11.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -129.765634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.765634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.765634 (E_RNA)
where:
Base-Base interactions energy: -75.203
where: short stacking energy: -38.499
Base-Backbone interact. energy: 0.948
local terms energy: -55.510547
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -14.892
flat angles P-C4'-P energy: -7.913
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: 6, replica: 3
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -100.167667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.167667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.167667 (E_RNA)
where:
Base-Base interactions energy: -43.744
where: short stacking energy: -31.849
Base-Backbone interact. energy: 1.061
local terms energy: -57.484603
where:
bonds (distance) C4'-P energy: -12.382
bonds (distance) P-C4' energy: -16.273
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -4.297
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: 8
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -124.169677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.169677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.169677 (E_RNA)
where:
Base-Base interactions energy: -67.936
where: short stacking energy: -38.440
Base-Backbone interact. energy: -0.001
local terms energy: -56.232320
where:
bonds (distance) C4'-P energy: -11.585
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -2.616
tors. eta vs tors. theta energy: -9.353
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: 4
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -93.721648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.721648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.721648 (E_RNA)
where:
Base-Base interactions energy: -36.055
where: short stacking energy: -22.886
Base-Backbone interact. energy: -0.944
local terms energy: -56.722518
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -11.083
flat angles P-C4'-P energy: -7.373
tors. eta vs tors. theta energy: -6.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -100.415703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.415703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.415703 (E_RNA)
where:
Base-Base interactions energy: -39.360
where: short stacking energy: -29.726
Base-Backbone interact. energy: -0.109
local terms energy: -60.947315
where:
bonds (distance) C4'-P energy: -14.548
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -9.146
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: 10, replica: 6
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -92.618196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.618196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.618196 (E_RNA)
where:
Base-Base interactions energy: -42.830
where: short stacking energy: -40.653
Base-Backbone interact. energy: -0.013
local terms energy: -49.775671
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -11.253
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -7.663
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: 15
Temperature: 0.900000
Total energy: -217.030844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.030844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.030844 (E_RNA)
where:
Base-Base interactions energy: -144.510
where: short stacking energy: -68.390
Base-Backbone interact. energy: 0.218
local terms energy: -72.738743
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -7.093
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: 2, replica: 9
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -194.335845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.335845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.335845 (E_RNA)
where:
Base-Base interactions energy: -118.793
where: short stacking energy: -55.521
Base-Backbone interact. energy: -0.107
local terms energy: -75.435702
where:
bonds (distance) C4'-P energy: -15.544
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -17.924
flat angles P-C4'-P energy: -8.315
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: 5
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -184.086220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.086220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.086220 (E_RNA)
where:
Base-Base interactions energy: -117.451
where: short stacking energy: -56.411
Base-Backbone interact. energy: -0.140
local terms energy: -66.494493
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -5.770
tors. eta vs tors. theta energy: -14.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -183.549878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.549878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.549878 (E_RNA)
where:
Base-Base interactions energy: -120.183
where: short stacking energy: -54.728
Base-Backbone interact. energy: -0.677
local terms energy: -62.689618
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -2.901
tors. eta vs tors. theta energy: -11.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -144.156765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.156765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.156765 (E_RNA)
where:
Base-Base interactions energy: -84.423
where: short stacking energy: -36.377
Base-Backbone interact. energy: -0.283
local terms energy: -59.450477
where:
bonds (distance) C4'-P energy: -15.285
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -4.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -128.638755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.638755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.638755 (E_RNA)
where:
Base-Base interactions energy: -68.035
where: short stacking energy: -32.682
Base-Backbone interact. energy: -0.129
local terms energy: -60.474041
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -11.643
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -8.891
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: 7, replica: 3
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -99.787917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.787917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.787917 (E_RNA)
where:
Base-Base interactions energy: -48.052
where: short stacking energy: -34.029
Base-Backbone interact. energy: -0.863
local terms energy: -50.873460
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -12.065
flat angles P-C4'-P energy: -4.795
tors. eta vs tors. theta energy: -1.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -99.029817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.029817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.029817 (E_RNA)
where:
Base-Base interactions energy: -47.844
where: short stacking energy: -39.486
Base-Backbone interact. energy: -0.266
local terms energy: -50.920467
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -11.752
flat angles C4'-P-C4' energy: -10.273
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -5.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -87.509255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.509255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.509255 (E_RNA)
where:
Base-Base interactions energy: -46.928
where: short stacking energy: -25.144
Base-Backbone interact. energy: -0.149
local terms energy: -40.432507
where:
bonds (distance) C4'-P energy: -9.495
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -5.463
tors. eta vs tors. theta energy: 0.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -85.786025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.786025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.786025 (E_RNA)
where:
Base-Base interactions energy: -38.016
where: short stacking energy: -17.909
Base-Backbone interact. energy: -0.074
local terms energy: -47.695519
where:
bonds (distance) C4'-P energy: -12.266
bonds (distance) P-C4' energy: -13.109
flat angles C4'-P-C4' energy: -10.619
flat angles P-C4'-P energy: -6.281
tors. eta vs tors. theta energy: -5.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -215.512215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.512215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.512215 (E_RNA)
where:
Base-Base interactions energy: -150.143
where: short stacking energy: -61.637
Base-Backbone interact. energy: -0.015
local terms energy: -65.353913
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -15.159
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: 9
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -199.685363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.685363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.685363 (E_RNA)
where:
Base-Base interactions energy: -136.125
where: short stacking energy: -66.275
Base-Backbone interact. energy: -0.087
local terms energy: -63.473493
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -14.469
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: -7.399
tors. eta vs tors. theta energy: -13.324
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: 3, replica: 5
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -183.724407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.724407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.724407 (E_RNA)
where:
Base-Base interactions energy: -114.801
where: short stacking energy: -44.115
Base-Backbone interact. energy: -0.909
local terms energy: -68.014524
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -13.724
tors. eta vs tors. theta energy: -7.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -190.954205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.954205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.954205 (E_RNA)
where:
Base-Base interactions energy: -122.432
where: short stacking energy: -64.754
Base-Backbone interact. energy: -0.266
local terms energy: -68.256635
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -12.357
flat angles C4'-P-C4' energy: -17.963
flat angles P-C4'-P energy: -5.601
tors. eta vs tors. theta energy: -18.532
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: 10
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -138.971255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.971255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.971255 (E_RNA)
where:
Base-Base interactions energy: -85.770
where: short stacking energy: -44.951
Base-Backbone interact. energy: -0.239
local terms energy: -52.962105
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -11.697
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -5.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -140.920507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.920507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.920507 (E_RNA)
where:
Base-Base interactions energy: -78.539
where: short stacking energy: -45.198
Base-Backbone interact. energy: -0.059
local terms energy: -62.323446
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -7.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -87.893034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.893034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.893034 (E_RNA)
where:
Base-Base interactions energy: -31.309
where: short stacking energy: -30.852
Base-Backbone interact. energy: -0.030
local terms energy: -56.553428
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -18.676
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: -0.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -80.275756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.275756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.275756 (E_RNA)
where:
Base-Base interactions energy: -34.180
where: short stacking energy: -26.117
Base-Backbone interact. energy: 3.023
local terms energy: -49.118998
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -12.012
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: 0.091
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: 4
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -86.319888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.319888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.319888 (E_RNA)
where:
Base-Base interactions energy: -34.613
where: short stacking energy: -34.277
Base-Backbone interact. energy: -0.082
local terms energy: -51.624913
where:
bonds (distance) C4'-P energy: -10.324
bonds (distance) P-C4' energy: -11.853
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -7.806
tors. eta vs tors. theta energy: -8.876
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: 6
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -72.963055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.963055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.963055 (E_RNA)
where:
Base-Base interactions energy: -34.406
where: short stacking energy: -27.781
Base-Backbone interact. energy: -0.109
local terms energy: -38.448000
where:
bonds (distance) C4'-P energy: -4.680
bonds (distance) P-C4' energy: -12.466
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -8.935
tors. eta vs tors. theta energy: 0.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -215.247131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.247131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.247131 (E_RNA)
where:
Base-Base interactions energy: -142.161
where: short stacking energy: -66.286
Base-Backbone interact. energy: -0.075
local terms energy: -73.010790
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: -18.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -191.421962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.421962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.421962 (E_RNA)
where:
Base-Base interactions energy: -124.850
where: short stacking energy: -56.674
Base-Backbone interact. energy: -1.027
local terms energy: -65.545231
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -11.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -193.145806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.145806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.145806 (E_RNA)
where:
Base-Base interactions energy: -127.398
where: short stacking energy: -62.563
Base-Backbone interact. energy: -0.298
local terms energy: -65.449705
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -7.005
tors. eta vs tors. theta energy: -16.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -187.140096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.140096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.140096 (E_RNA)
where:
Base-Base interactions energy: -113.778
where: short stacking energy: -58.114
Base-Backbone interact. energy: -0.439
local terms energy: -72.923081
where:
bonds (distance) C4'-P energy: -13.827
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -14.329
flat angles P-C4'-P energy: -13.158
tors. eta vs tors. theta energy: -15.443
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: 5, replica: 10
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -152.340750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.340750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.340750 (E_RNA)
where:
Base-Base interactions energy: -96.759
where: short stacking energy: -39.524
Base-Backbone interact. energy: -0.770
local terms energy: -54.811616
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -5.216
tors. eta vs tors. theta energy: -8.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -143.150476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.150476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.150476 (E_RNA)
where:
Base-Base interactions energy: -77.838
where: short stacking energy: -48.688
Base-Backbone interact. energy: -0.575
local terms energy: -64.737593
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: -7.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -94.907193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.907193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.907193 (E_RNA)
where:
Base-Base interactions energy: -35.675
where: short stacking energy: -35.675
Base-Backbone interact. energy: -0.020
local terms energy: -59.212469
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -14.287
flat angles C4'-P-C4' energy: -11.314
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -9.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -85.505383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.505383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.505383 (E_RNA)
where:
Base-Base interactions energy: -32.960
where: short stacking energy: -32.960
Base-Backbone interact. energy: -0.489
local terms energy: -52.056182
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -11.448
flat angles C4'-P-C4' energy: -12.402
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -4.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -82.537249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.537249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.537249 (E_RNA)
where:
Base-Base interactions energy: -32.977
where: short stacking energy: -32.429
Base-Backbone interact. energy: -0.222
local terms energy: -49.337976
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -11.556
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -3.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -77.883637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.883637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.883637 (E_RNA)
where:
Base-Base interactions energy: -29.892
where: short stacking energy: -27.369
Base-Backbone interact. energy: 0.265
local terms energy: -48.257473
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -5.954
tors. eta vs tors. theta energy: -0.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -219.437367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.437367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.437367 (E_RNA)
where:
Base-Base interactions energy: -147.032
where: short stacking energy: -58.678
Base-Backbone interact. energy: -0.004
local terms energy: -72.400965
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -7.835
tors. eta vs tors. theta energy: -17.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -178.340571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.340571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.340571 (E_RNA)
where:
Base-Base interactions energy: -108.475
where: short stacking energy: -62.267
Base-Backbone interact. energy: -0.025
local terms energy: -69.840369
where:
bonds (distance) C4'-P energy: -8.956
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -16.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -199.528985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.528985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.528985 (E_RNA)
where:
Base-Base interactions energy: -132.662
where: short stacking energy: -65.986
Base-Backbone interact. energy: -0.152
local terms energy: -66.715131
where:
bonds (distance) C4'-P energy: -11.250
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -7.419
tors. eta vs tors. theta energy: -18.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -184.418846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.418846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.418846 (E_RNA)
where:
Base-Base interactions energy: -115.802
where: short stacking energy: -54.898
Base-Backbone interact. energy: -0.026
local terms energy: -68.590718
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -17.971
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -8.206
tors. eta vs tors. theta energy: -14.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -149.090225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.090225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.090225 (E_RNA)
where:
Base-Base interactions energy: -90.855
where: short stacking energy: -42.238
Base-Backbone interact. energy: -0.339
local terms energy: -57.896694
where:
bonds (distance) C4'-P energy: -7.446
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -13.952
flat angles P-C4'-P energy: -9.035
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: 6, replica: 8
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -129.281239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.281239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.281239 (E_RNA)
where:
Base-Base interactions energy: -78.789
where: short stacking energy: -35.081
Base-Backbone interact. energy: -0.019
local terms energy: -50.473969
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -12.952
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -6.105
tors. eta vs tors. theta energy: -1.051
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: 4
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -90.624386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.624386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.624386 (E_RNA)
where:
Base-Base interactions energy: -38.015
where: short stacking energy: -38.015
Base-Backbone interact. energy: -1.323
local terms energy: -51.286575
where:
bonds (distance) C4'-P energy: -11.112
bonds (distance) P-C4' energy: -12.339
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -5.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -78.740621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.740621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.740621 (E_RNA)
where:
Base-Base interactions energy: -38.248
where: short stacking energy: -27.675
Base-Backbone interact. energy: -0.298
local terms energy: -40.194120
where:
bonds (distance) C4'-P energy: -7.396
bonds (distance) P-C4' energy: -11.569
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -4.267
tors. eta vs tors. theta energy: -1.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -85.379404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.379404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.379404 (E_RNA)
where:
Base-Base interactions energy: -34.411
where: short stacking energy: -18.001
Base-Backbone interact. energy: 1.969
local terms energy: -52.937252
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -7.317
flat angles P-C4'-P energy: -8.556
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: 10, replica: 3
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -77.860342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.860342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.860342 (E_RNA)
where:
Base-Base interactions energy: -29.741
where: short stacking energy: -29.111
Base-Backbone interact. energy: -0.208
local terms energy: -47.911366
where:
bonds (distance) C4'-P energy: -9.544
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -8.008
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -6.399
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: 1, replica: 7
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -204.756843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.756843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.756843 (E_RNA)
where:
Base-Base interactions energy: -136.039
where: short stacking energy: -56.158
Base-Backbone interact. energy: -0.064
local terms energy: -68.653821
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -7.202
tors. eta vs tors. theta energy: -15.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -202.898406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.898406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.898406 (E_RNA)
where:
Base-Base interactions energy: -123.952
where: short stacking energy: -61.292
Base-Backbone interact. energy: -0.001
local terms energy: -78.945258
where:
bonds (distance) C4'-P energy: -18.304
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -16.538
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: 5
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -164.395467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.395467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.395467 (E_RNA)
where:
Base-Base interactions energy: -102.980
where: short stacking energy: -53.587
Base-Backbone interact. energy: -0.839
local terms energy: -60.577004
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -5.080
tors. eta vs tors. theta energy: -14.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -181.963530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.963530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.963530 (E_RNA)
where:
Base-Base interactions energy: -113.314
where: short stacking energy: -56.293
Base-Backbone interact. energy: -0.001
local terms energy: -68.647852
where:
bonds (distance) C4'-P energy: -13.301
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -11.623
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -15.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -141.007663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.007663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.007663 (E_RNA)
where:
Base-Base interactions energy: -79.378
where: short stacking energy: -41.063
Base-Backbone interact. energy: -0.285
local terms energy: -61.344387
where:
bonds (distance) C4'-P energy: -11.756
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -10.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -113.881420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.881420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.881420 (E_RNA)
where:
Base-Base interactions energy: -54.402
where: short stacking energy: -34.567
Base-Backbone interact. energy: -0.397
local terms energy: -59.081761
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -11.480
flat angles P-C4'-P energy: -3.369
tors. eta vs tors. theta energy: -11.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -144.606404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.606404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.606404 (E_RNA)
where:
Base-Base interactions energy: -83.585
where: short stacking energy: -41.548
Base-Backbone interact. energy: -0.404
local terms energy: -60.617279
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -13.062
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -8.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -88.430353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.430353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.430353 (E_RNA)
where:
Base-Base interactions energy: -34.716
where: short stacking energy: -33.951
Base-Backbone interact. energy: -0.671
local terms energy: -53.043375
where:
bonds (distance) C4'-P energy: -12.088
bonds (distance) P-C4' energy: -13.587
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -7.624
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: 1
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -82.607386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.607386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.607386 (E_RNA)
where:
Base-Base interactions energy: -38.455
where: short stacking energy: -23.501
Base-Backbone interact. energy: -1.063
local terms energy: -43.089866
where:
bonds (distance) C4'-P energy: -10.071
bonds (distance) P-C4' energy: -11.458
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -7.349
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: 10, replica: 3
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -78.566178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.566178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.566178 (E_RNA)
where:
Base-Base interactions energy: -29.486
where: short stacking energy: -29.486
Base-Backbone interact. energy: -0.174
local terms energy: -48.906011
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -14.053
flat angles C4'-P-C4' energy: -10.599
flat angles P-C4'-P energy: -7.613
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: 1, replica: 7
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -214.351577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.351577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.351577 (E_RNA)
where:
Base-Base interactions energy: -140.771
where: short stacking energy: -67.932
Base-Backbone interact. energy: -0.001
local terms energy: -73.580026
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -13.222
flat angles P-C4'-P energy: -13.367
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: 2, replica: 9
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -201.358013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.358013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.358013 (E_RNA)
where:
Base-Base interactions energy: -131.746
where: short stacking energy: -59.404
Base-Backbone interact. energy: -0.114
local terms energy: -69.497625
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -15.641
flat angles P-C4'-P energy: -7.585
tors. eta vs tors. theta energy: -15.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -209.313561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.313561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.313561 (E_RNA)
where:
Base-Base interactions energy: -134.452
where: short stacking energy: -72.418
Base-Backbone interact. energy: -0.006
local terms energy: -74.855016
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -14.372
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -13.239
tors. eta vs tors. theta energy: -19.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -170.167034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.167034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.167034 (E_RNA)
where:
Base-Base interactions energy: -104.965
where: short stacking energy: -43.053
Base-Backbone interact. energy: 0.867
local terms energy: -66.069074
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -6.120
tors. eta vs tors. theta energy: -13.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -176.847989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.847989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.847989 (E_RNA)
where:
Base-Base interactions energy: -116.179
where: short stacking energy: -60.646
Base-Backbone interact. energy: -0.171
local terms energy: -60.498405
where:
bonds (distance) C4'-P energy: -11.757
bonds (distance) P-C4' energy: -12.100
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -14.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -143.013743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.013743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.013743 (E_RNA)
where:
Base-Base interactions energy: -83.706
where: short stacking energy: -50.237
Base-Backbone interact. energy: -0.025
local terms energy: -59.282863
where:
bonds (distance) C4'-P energy: -11.383
bonds (distance) P-C4' energy: -17.621
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -7.985
tors. eta vs tors. theta energy: -7.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -138.700656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.700656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.700656 (E_RNA)
where:
Base-Base interactions energy: -81.149
where: short stacking energy: -47.098
Base-Backbone interact. energy: -0.520
local terms energy: -57.031485
where:
bonds (distance) C4'-P energy: -9.686
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -5.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -92.612612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.612612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.612612 (E_RNA)
where:
Base-Base interactions energy: -42.456
where: short stacking energy: -35.348
Base-Backbone interact. energy: -0.161
local terms energy: -49.995801
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -10.556
flat angles P-C4'-P energy: -5.949
tors. eta vs tors. theta energy: -3.457
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: 9, replica: 3
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -77.989605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.989605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.989605 (E_RNA)
where:
Base-Base interactions energy: -32.939
where: short stacking energy: -32.939
Base-Backbone interact. energy: -0.248
local terms energy: -44.802944
where:
bonds (distance) C4'-P energy: -8.898
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -6.522
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: 10, replica: 1
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -97.544269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.544269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.544269 (E_RNA)
where:
Base-Base interactions energy: -42.219
where: short stacking energy: -42.219
Base-Backbone interact. energy: -0.039
local terms energy: -55.285993
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -9.336
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -8.508
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: 7
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -212.125200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.125200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.125200 (E_RNA)
where:
Base-Base interactions energy: -144.574
where: short stacking energy: -62.842
Base-Backbone interact. energy: -1.539
local terms energy: -66.011841
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -13.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -205.189408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.189408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.189408 (E_RNA)
where:
Base-Base interactions energy: -134.913
where: short stacking energy: -66.137
Base-Backbone interact. energy: 0.313
local terms energy: -70.589015
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -14.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -195.779679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.779679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.779679 (E_RNA)
where:
Base-Base interactions energy: -124.885
where: short stacking energy: -60.337
Base-Backbone interact. energy: -0.100
local terms energy: -70.794891
where:
bonds (distance) C4'-P energy: -11.667
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -14.663
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: 4, replica: 4
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -194.491081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.491081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.491081 (E_RNA)
where:
Base-Base interactions energy: -136.370
where: short stacking energy: -52.609
Base-Backbone interact. energy: -0.688
local terms energy: -57.432678
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -10.935
flat angles C4'-P-C4' energy: -12.696
flat angles P-C4'-P energy: -4.685
tors. eta vs tors. theta energy: -12.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -164.265710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.265710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.265710 (E_RNA)
where:
Base-Base interactions energy: -110.686
where: short stacking energy: -51.020
Base-Backbone interact. energy: 0.535
local terms energy: -54.114720
where:
bonds (distance) C4'-P energy: -13.033
bonds (distance) P-C4' energy: -12.127
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -3.052
tors. eta vs tors. theta energy: -12.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -132.526452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.526452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.526452 (E_RNA)
where:
Base-Base interactions energy: -75.290
where: short stacking energy: -49.532
Base-Backbone interact. energy: -0.277
local terms energy: -56.958846
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -10.325
flat angles C4'-P-C4' energy: -16.069
flat angles P-C4'-P energy: -6.370
tors. eta vs tors. theta energy: -7.815
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: 8
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -150.914603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.914603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.914603 (E_RNA)
where:
Base-Base interactions energy: -89.539
where: short stacking energy: -51.067
Base-Backbone interact. energy: -0.268
local terms energy: -61.107860
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -11.081
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -11.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -83.436914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.436914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.436914 (E_RNA)
where:
Base-Base interactions energy: -39.323
where: short stacking energy: -38.864
Base-Backbone interact. energy: -0.497
local terms energy: -43.617145
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -12.439
flat angles C4'-P-C4' energy: -7.075
flat angles P-C4'-P energy: -9.002
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: 6
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -81.608944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.608944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.608944 (E_RNA)
where:
Base-Base interactions energy: -34.682
where: short stacking energy: -24.401
Base-Backbone interact. energy: -1.480
local terms energy: -45.446977
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -9.177
flat angles P-C4'-P energy: -8.540
tors. eta vs tors. theta energy: -0.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -80.685955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.685955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.685955 (E_RNA)
where:
Base-Base interactions energy: -36.852
where: short stacking energy: -36.852
Base-Backbone interact. energy: -0.157
local terms energy: -43.676877
where:
bonds (distance) C4'-P energy: -7.569
bonds (distance) P-C4' energy: -11.028
flat angles C4'-P-C4' energy: -7.981
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -5.544
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: 2
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -203.630527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.630527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.630527 (E_RNA)
where:
Base-Base interactions energy: -131.570
where: short stacking energy: -66.148
Base-Backbone interact. energy: 0.445
local terms energy: -72.505467
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -13.009
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -12.359
tors. eta vs tors. theta energy: -17.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -191.159644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.159644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.159644 (E_RNA)
where:
Base-Base interactions energy: -120.313
where: short stacking energy: -57.454
Base-Backbone interact. energy: -0.069
local terms energy: -70.777251
where:
bonds (distance) C4'-P energy: -11.968
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -13.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -192.423773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.423773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.423773 (E_RNA)
where:
Base-Base interactions energy: -125.653
where: short stacking energy: -60.207
Base-Backbone interact. energy: -0.894
local terms energy: -65.876991
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -6.092
tors. eta vs tors. theta energy: -15.547
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: 4, replica: 4
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -167.601182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.601182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.601182 (E_RNA)
where:
Base-Base interactions energy: -110.206
where: short stacking energy: -44.506
Base-Backbone interact. energy: -0.259
local terms energy: -57.136316
where:
bonds (distance) C4'-P energy: -14.130
bonds (distance) P-C4' energy: -13.847
flat angles C4'-P-C4' energy: -11.634
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -6.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -158.189468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.189468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.189468 (E_RNA)
where:
Base-Base interactions energy: -99.878
where: short stacking energy: -49.528
Base-Backbone interact. energy: -0.108
local terms energy: -58.203705
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -11.454
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -7.953
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: 5
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -156.101831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.101831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.101831 (E_RNA)
where:
Base-Base interactions energy: -89.499
where: short stacking energy: -51.260
Base-Backbone interact. energy: -0.022
local terms energy: -66.580981
where:
bonds (distance) C4'-P energy: -14.477
bonds (distance) P-C4' energy: -15.510
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -11.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -86.923039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.923039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.923039 (E_RNA)
where:
Base-Base interactions energy: -34.199
where: short stacking energy: -26.563
Base-Backbone interact. energy: -0.199
local terms energy: -52.525361
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -13.291
flat angles C4'-P-C4' energy: -8.883
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -6.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -136.908024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.908024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.908024 (E_RNA)
where:
Base-Base interactions energy: -77.729
where: short stacking energy: -43.092
Base-Backbone interact. energy: -1.017
local terms energy: -58.162314
where:
bonds (distance) C4'-P energy: -11.961
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -12.285
tors. eta vs tors. theta energy: -4.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -78.324333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.324333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.324333 (E_RNA)
where:
Base-Base interactions energy: -28.852
where: short stacking energy: -19.683
Base-Backbone interact. energy: -0.245
local terms energy: -49.227295
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -12.803
flat angles C4'-P-C4' energy: -11.737
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: 2.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -87.527128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.527128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.527128 (E_RNA)
where:
Base-Base interactions energy: -33.837
where: short stacking energy: -21.837
Base-Backbone interact. energy: -0.135
local terms energy: -53.554876
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: 0.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -207.999626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.999626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.999626 (E_RNA)
where:
Base-Base interactions energy: -139.100
where: short stacking energy: -69.265
Base-Backbone interact. energy: -0.009
local terms energy: -68.890497
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -8.195
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: 2, replica: 9
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -190.299577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.299577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.299577 (E_RNA)
where:
Base-Base interactions energy: -114.406
where: short stacking energy: -54.019
Base-Backbone interact. energy: -0.444
local terms energy: -75.449465
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -12.433
tors. eta vs tors. theta energy: -15.370
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: 7
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -192.914878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.914878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.914878 (E_RNA)
where:
Base-Base interactions energy: -125.238
where: short stacking energy: -58.007
Base-Backbone interact. energy: -0.728
local terms energy: -66.948818
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -13.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -147.911830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.911830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.911830 (E_RNA)
where:
Base-Base interactions energy: -91.767
where: short stacking energy: -45.601
Base-Backbone interact. energy: -0.138
local terms energy: -56.006443
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -7.498
flat angles P-C4'-P energy: -8.605
tors. eta vs tors. theta energy: -6.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -135.178334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.178334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.178334 (E_RNA)
where:
Base-Base interactions energy: -67.472
where: short stacking energy: -39.088
Base-Backbone interact. energy: -0.723
local terms energy: -66.983647
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -10.983
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: 3
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -87.222464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.222464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.222464 (E_RNA)
where:
Base-Base interactions energy: -31.467
where: short stacking energy: -30.114
Base-Backbone interact. energy: -0.011
local terms energy: -55.745159
where:
bonds (distance) C4'-P energy: -10.278
bonds (distance) P-C4' energy: -15.390
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: -7.400
tors. eta vs tors. theta energy: -6.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -145.298642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.298642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.298642 (E_RNA)
where:
Base-Base interactions energy: -88.204
where: short stacking energy: -51.658
Base-Backbone interact. energy: -0.141
local terms energy: -56.953270
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -10.332
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: -10.841
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: 8, replica: 8
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -119.453908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.453908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.453908 (E_RNA)
where:
Base-Base interactions energy: -70.617
where: short stacking energy: -31.395
Base-Backbone interact. energy: 0.032
local terms energy: -48.869249
where:
bonds (distance) C4'-P energy: -10.182
bonds (distance) P-C4' energy: -9.729
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -6.684
tors. eta vs tors. theta energy: -8.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -88.109754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.109754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.109754 (E_RNA)
where:
Base-Base interactions energy: -35.097
where: short stacking energy: -27.871
Base-Backbone interact. energy: -0.280
local terms energy: -52.732960
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: 0.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -72.953117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.953117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.953117 (E_RNA)
where:
Base-Base interactions energy: -28.824
where: short stacking energy: -27.450
Base-Backbone interact. energy: -0.168
local terms energy: -43.961162
where:
bonds (distance) C4'-P energy: -9.743
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -9.864
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -1.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -200.352344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.352344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.352344 (E_RNA)
where:
Base-Base interactions energy: -129.037
where: short stacking energy: -68.270
Base-Backbone interact. energy: -0.006
local terms energy: -71.309091
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -16.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -214.563591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.563591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.563591 (E_RNA)
where:
Base-Base interactions energy: -136.389
where: short stacking energy: -72.436
Base-Backbone interact. energy: -0.004
local terms energy: -78.170347
where:
bonds (distance) C4'-P energy: -17.932
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: -18.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -187.959229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.959229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.959229 (E_RNA)
where:
Base-Base interactions energy: -115.078
where: short stacking energy: -53.869
Base-Backbone interact. energy: -0.039
local terms energy: -72.841695
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -13.335
flat angles C4'-P-C4' energy: -15.425
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -16.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -144.162007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.162007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.162007 (E_RNA)
where:
Base-Base interactions energy: -81.390
where: short stacking energy: -51.700
Base-Backbone interact. energy: -0.018
local terms energy: -62.754469
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -15.038
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -9.964
tors. eta vs tors. theta energy: -7.901
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: 4
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -141.107180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.107180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.107180 (E_RNA)
where:
Base-Base interactions energy: -77.806
where: short stacking energy: -41.614
Base-Backbone interact. energy: -0.223
local terms energy: -63.077828
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: -10.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -102.580926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.580926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.580926 (E_RNA)
where:
Base-Base interactions energy: -45.462
where: short stacking energy: -45.462
Base-Backbone interact. energy: -0.077
local terms energy: -57.041589
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -11.441
flat angles C4'-P-C4' energy: -11.107
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -9.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -154.927022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.927022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.927022 (E_RNA)
where:
Base-Base interactions energy: -93.305
where: short stacking energy: -55.869
Base-Backbone interact. energy: -0.159
local terms energy: -61.463401
where:
bonds (distance) C4'-P energy: -7.306
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -6.753
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: 8, replica: 8
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -142.007720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.007720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.007720 (E_RNA)
where:
Base-Base interactions energy: -74.196
where: short stacking energy: -35.162
Base-Backbone interact. energy: -0.146
local terms energy: -67.666001
where:
bonds (distance) C4'-P energy: -12.154
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -12.362
tors. eta vs tors. theta energy: -11.845
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: 6
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -93.940909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.940909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.940909 (E_RNA)
where:
Base-Base interactions energy: -33.624
where: short stacking energy: -29.648
Base-Backbone interact. energy: -0.172
local terms energy: -60.144541
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -15.495
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -4.410
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: 24
Temperature: 1.350000
Total energy: -87.367047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.367047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.367047 (E_RNA)
where:
Base-Base interactions energy: -45.546
where: short stacking energy: -38.072
Base-Backbone interact. energy: -0.255
local terms energy: -41.565256
where:
bonds (distance) C4'-P energy: -11.268
bonds (distance) P-C4' energy: -13.385
flat angles C4'-P-C4' energy: -13.571
flat angles P-C4'-P energy: 0.207
tors. eta vs tors. theta energy: -3.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -195.718653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.718653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.718653 (E_RNA)
where:
Base-Base interactions energy: -132.010
where: short stacking energy: -59.639
Base-Backbone interact. energy: -0.231
local terms energy: -63.478080
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -13.005
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -6.618
tors. eta vs tors. theta energy: -12.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -212.940405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.940405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.940405 (E_RNA)
where:
Base-Base interactions energy: -133.199
where: short stacking energy: -75.223
Base-Backbone interact. energy: -0.000
local terms energy: -79.741083
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -21.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -197.256419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.256419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.256419 (E_RNA)
where:
Base-Base interactions energy: -130.475
where: short stacking energy: -63.800
Base-Backbone interact. energy: -0.009
local terms energy: -66.772303
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -9.281
tors. eta vs tors. theta energy: -16.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -162.597034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.597034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.597034 (E_RNA)
where:
Base-Base interactions energy: -97.845
where: short stacking energy: -58.777
Base-Backbone interact. energy: -0.004
local terms energy: -64.748230
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -9.125
tors. eta vs tors. theta energy: -14.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -140.595229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.595229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.595229 (E_RNA)
where:
Base-Base interactions energy: -78.369
where: short stacking energy: -41.036
Base-Backbone interact. energy: -0.132
local terms energy: -62.094307
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -15.634
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -7.174
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: 5
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -142.941967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.941967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.941967 (E_RNA)
where:
Base-Base interactions energy: -79.797
where: short stacking energy: -46.176
Base-Backbone interact. energy: -0.106
local terms energy: -63.039129
where:
bonds (distance) C4'-P energy: -11.152
bonds (distance) P-C4' energy: -17.587
flat angles C4'-P-C4' energy: -9.918
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -12.520
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: 25
Temperature: 1.200000
Total energy: -96.540263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.540263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.540263 (E_RNA)
where:
Base-Base interactions energy: -38.739
where: short stacking energy: -38.739
Base-Backbone interact. energy: -0.005
local terms energy: -57.796528
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -8.455
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: 8, replica: 6
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -92.840001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.840001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.840001 (E_RNA)
where:
Base-Base interactions energy: -35.853
where: short stacking energy: -35.853
Base-Backbone interact. energy: -0.030
local terms energy: -56.956423
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -13.925
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: -7.870
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: 9, replica: 8
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -102.629158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.629158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.629158 (E_RNA)
where:
Base-Base interactions energy: -51.803
where: short stacking energy: -24.163
Base-Backbone interact. energy: -1.482
local terms energy: -49.344526
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -2.550
tors. eta vs tors. theta energy: -2.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -75.808148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.808148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.808148 (E_RNA)
where:
Base-Base interactions energy: -40.184
where: short stacking energy: -14.430
Base-Backbone interact. energy: -0.114
local terms energy: -35.510386
where:
bonds (distance) C4'-P energy: -12.591
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -7.056
flat angles P-C4'-P energy: -3.208
tors. eta vs tors. theta energy: 4.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -203.283254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.283254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.283254 (E_RNA)
where:
Base-Base interactions energy: -133.104
where: short stacking energy: -71.131
Base-Backbone interact. energy: -0.003
local terms energy: -70.176381
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -9.080
tors. eta vs tors. theta energy: -17.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -201.485945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.485945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.485945 (E_RNA)
where:
Base-Base interactions energy: -127.502
where: short stacking energy: -67.892
Base-Backbone interact. energy: -0.012
local terms energy: -73.972239
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -13.232
tors. eta vs tors. theta energy: -14.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -172.544372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.544372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.544372 (E_RNA)
where:
Base-Base interactions energy: -103.231
where: short stacking energy: -57.358
Base-Backbone interact. energy: -0.004
local terms energy: -69.309511
where:
bonds (distance) C4'-P energy: -15.160
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -9.075
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: 4, replica: 7
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -194.914051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.914051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.914051 (E_RNA)
where:
Base-Base interactions energy: -128.633
where: short stacking energy: -55.394
Base-Backbone interact. energy: 0.614
local terms energy: -66.895606
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -14.522
flat angles P-C4'-P energy: -9.681
tors. eta vs tors. theta energy: -15.024
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: 5
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -157.669875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.669875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.669875 (E_RNA)
where:
Base-Base interactions energy: -90.947
where: short stacking energy: -54.332
Base-Backbone interact. energy: -0.063
local terms energy: -66.659888
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -11.484
flat angles C4'-P-C4' energy: -16.828
flat angles P-C4'-P energy: -10.627
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: 6, replica: 10
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -139.769311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.769311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.769311 (E_RNA)
where:
Base-Base interactions energy: -87.681
where: short stacking energy: -24.318
Base-Backbone interact. energy: -1.075
local terms energy: -51.013267
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: 3.415
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: 6
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -87.892904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.892904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.892904 (E_RNA)
where:
Base-Base interactions energy: -33.677
where: short stacking energy: -32.865
Base-Backbone interact. energy: -0.135
local terms energy: -54.080892
where:
bonds (distance) C4'-P energy: -10.099
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -11.807
flat angles P-C4'-P energy: -10.780
tors. eta vs tors. theta energy: -6.941
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: 3
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -81.757370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.757370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.757370 (E_RNA)
where:
Base-Base interactions energy: -33.754
where: short stacking energy: -23.376
Base-Backbone interact. energy: -0.444
local terms energy: -47.558841
where:
bonds (distance) C4'-P energy: -5.251
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -0.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -93.553985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.553985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.553985 (E_RNA)
where:
Base-Base interactions energy: -43.654
where: short stacking energy: -20.798
Base-Backbone interact. energy: -0.425
local terms energy: -49.475235
where:
bonds (distance) C4'-P energy: -12.394
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -1.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -87.317117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.317117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.317117 (E_RNA)
where:
Base-Base interactions energy: -29.349
where: short stacking energy: -29.349
Base-Backbone interact. energy: 0.443
local terms energy: -58.411557
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -4.745
tors. eta vs tors. theta energy: -5.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -205.556704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.556704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.556704 (E_RNA)
where:
Base-Base interactions energy: -131.856
where: short stacking energy: -68.044
Base-Backbone interact. energy: -0.117
local terms energy: -73.583656
where:
bonds (distance) C4'-P energy: -17.327
bonds (distance) P-C4' energy: -17.670
flat angles C4'-P-C4' energy: -11.491
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -17.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -203.022654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.022654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.022654 (E_RNA)
where:
Base-Base interactions energy: -131.680
where: short stacking energy: -54.329
Base-Backbone interact. energy: -0.421
local terms energy: -70.921467
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -17.201
flat angles P-C4'-P energy: -6.328
tors. eta vs tors. theta energy: -15.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -174.109130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.109130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.109130 (E_RNA)
where:
Base-Base interactions energy: -105.423
where: short stacking energy: -54.689
Base-Backbone interact. energy: -0.014
local terms energy: -68.672869
where:
bonds (distance) C4'-P energy: -12.312
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: -12.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -189.309101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.309101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.309101 (E_RNA)
where:
Base-Base interactions energy: -116.568
where: short stacking energy: -56.636
Base-Backbone interact. energy: -0.037
local terms energy: -72.703491
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -14.011
flat angles P-C4'-P energy: -12.889
tors. eta vs tors. theta energy: -16.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -142.190783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.190783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.190783 (E_RNA)
where:
Base-Base interactions energy: -83.992
where: short stacking energy: -33.215
Base-Backbone interact. energy: -0.246
local terms energy: -57.952928
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -8.410
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -9.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -128.869924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.869924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.869924 (E_RNA)
where:
Base-Base interactions energy: -79.688
where: short stacking energy: -37.735
Base-Backbone interact. energy: -0.567
local terms energy: -48.614811
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -9.532
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: -4.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -98.192701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.192701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.192701 (E_RNA)
where:
Base-Base interactions energy: -42.340
where: short stacking energy: -31.391
Base-Backbone interact. energy: 0.043
local terms energy: -55.895711
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -11.577
flat angles P-C4'-P energy: -13.566
tors. eta vs tors. theta energy: 0.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -87.995411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.995411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.995411 (E_RNA)
where:
Base-Base interactions energy: -33.729
where: short stacking energy: -18.332
Base-Backbone interact. energy: -0.159
local terms energy: -54.107800
where:
bonds (distance) C4'-P energy: -12.537
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -7.789
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: 9, replica: 3
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -93.334115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.334115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.334115 (E_RNA)
where:
Base-Base interactions energy: -34.607
where: short stacking energy: -34.607
Base-Backbone interact. energy: -0.003
local terms energy: -58.723895
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -10.256
flat angles P-C4'-P energy: -7.449
tors. eta vs tors. theta energy: -11.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -80.695657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.695657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.695657 (E_RNA)
where:
Base-Base interactions energy: -34.632
where: short stacking energy: -34.632
Base-Backbone interact. energy: -0.360
local terms energy: -45.703439
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -7.842
flat angles P-C4'-P energy: -5.314
tors. eta vs tors. theta energy: -4.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -212.363711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.363711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.363711 (E_RNA)
where:
Base-Base interactions energy: -141.160
where: short stacking energy: -64.899
Base-Backbone interact. energy: -0.020
local terms energy: -71.183056
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -16.771
flat angles P-C4'-P energy: -4.617
tors. eta vs tors. theta energy: -20.399
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: 9
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -210.676697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.676697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.676697 (E_RNA)
where:
Base-Base interactions energy: -139.562
where: short stacking energy: -54.356
Base-Backbone interact. energy: -0.782
local terms energy: -70.332887
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -4.219
tors. eta vs tors. theta energy: -18.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -192.728230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.728230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.728230 (E_RNA)
where:
Base-Base interactions energy: -122.950
where: short stacking energy: -59.317
Base-Backbone interact. energy: -0.066
local terms energy: -69.712309
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -15.255
flat angles P-C4'-P energy: -8.030
tors. eta vs tors. theta energy: -17.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -160.149276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.149276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.149276 (E_RNA)
where:
Base-Base interactions energy: -93.392
where: short stacking energy: -49.700
Base-Backbone interact. energy: -0.210
local terms energy: -66.547582
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -8.496
tors. eta vs tors. theta energy: -9.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -141.461042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.461042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.461042 (E_RNA)
where:
Base-Base interactions energy: -90.159
where: short stacking energy: -53.436
Base-Backbone interact. energy: -0.032
local terms energy: -51.270238
where:
bonds (distance) C4'-P energy: -8.819
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -5.928
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: -8.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -140.860845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.860845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.860845 (E_RNA)
where:
Base-Base interactions energy: -80.081
where: short stacking energy: -40.297
Base-Backbone interact. energy: -0.122
local terms energy: -60.657837
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -9.871
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -12.742
tors. eta vs tors. theta energy: -9.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -95.715965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.715965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.715965 (E_RNA)
where:
Base-Base interactions energy: -40.972
where: short stacking energy: -38.258
Base-Backbone interact. energy: -0.287
local terms energy: -54.457700
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -6.459
tors. eta vs tors. theta energy: -6.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -86.827819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.827819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.827819 (E_RNA)
where:
Base-Base interactions energy: -42.038
where: short stacking energy: -26.185
Base-Backbone interact. energy: 0.856
local terms energy: -45.645068
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -8.289
flat angles P-C4'-P energy: -4.405
tors. eta vs tors. theta energy: -4.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -80.535127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.535127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.535127 (E_RNA)
where:
Base-Base interactions energy: -33.256
where: short stacking energy: -28.040
Base-Backbone interact. energy: -0.468
local terms energy: -46.811169
where:
bonds (distance) C4'-P energy: -16.304
bonds (distance) P-C4' energy: -11.092
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -5.045
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: 10, replica: 3
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -99.152808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.152808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.152808 (E_RNA)
where:
Base-Base interactions energy: -48.805
where: short stacking energy: -42.563
Base-Backbone interact. energy: -0.357
local terms energy: -49.990901
where:
bonds (distance) C4'-P energy: -9.531
bonds (distance) P-C4' energy: -12.797
flat angles C4'-P-C4' energy: -12.478
flat angles P-C4'-P energy: -7.563
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: 1, replica: 2
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -222.286122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.286122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.286122 (E_RNA)
where:
Base-Base interactions energy: -143.977
where: short stacking energy: -76.014
Base-Backbone interact. energy: -0.478
local terms energy: -77.830990
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -15.207
flat angles C4'-P-C4' energy: -15.886
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -20.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -210.636566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.636566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.636566 (E_RNA)
where:
Base-Base interactions energy: -142.132
where: short stacking energy: -62.242
Base-Backbone interact. energy: -0.947
local terms energy: -67.557848
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -13.157
flat angles C4'-P-C4' energy: -11.705
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -16.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -205.467550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.467550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.467550 (E_RNA)
where:
Base-Base interactions energy: -140.593
where: short stacking energy: -56.881
Base-Backbone interact. energy: -0.834
local terms energy: -64.040366
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -16.394
flat angles C4'-P-C4' energy: -10.091
flat angles P-C4'-P energy: -7.341
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: 4, replica: 10
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -180.345867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.345867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.345867 (E_RNA)
where:
Base-Base interactions energy: -113.163
where: short stacking energy: -55.672
Base-Backbone interact. energy: -1.679
local terms energy: -65.503542
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -16.887
flat angles C4'-P-C4' energy: -16.940
flat angles P-C4'-P energy: -4.874
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: 5, replica: 4
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -151.352064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.352064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.352064 (E_RNA)
where:
Base-Base interactions energy: -81.504
where: short stacking energy: -52.826
Base-Backbone interact. energy: -0.965
local terms energy: -68.883194
where:
bonds (distance) C4'-P energy: -10.799
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -15.876
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: -15.148
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: 5
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -139.875878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.875878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.875878 (E_RNA)
where:
Base-Base interactions energy: -86.179
where: short stacking energy: -37.101
Base-Backbone interact. energy: -0.006
local terms energy: -53.690826
where:
bonds (distance) C4'-P energy: -10.837
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -13.626
flat angles P-C4'-P energy: -9.400
tors. eta vs tors. theta energy: -3.634
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: 1
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -103.644135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.644135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.644135 (E_RNA)
where:
Base-Base interactions energy: -52.192
where: short stacking energy: -28.662
Base-Backbone interact. energy: -0.752
local terms energy: -50.699838
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -11.896
flat angles C4'-P-C4' energy: -12.117
flat angles P-C4'-P energy: -10.520
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: 8, replica: 8
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -87.762147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.762147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.762147 (E_RNA)
where:
Base-Base interactions energy: -42.874
where: short stacking energy: -38.663
Base-Backbone interact. energy: 1.828
local terms energy: -46.716406
where:
bonds (distance) C4'-P energy: -10.063
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -5.687
flat angles P-C4'-P energy: -8.885
tors. eta vs tors. theta energy: -7.296
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: 6
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -90.694681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.694681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.694681 (E_RNA)
where:
Base-Base interactions energy: -40.325
where: short stacking energy: -36.832
Base-Backbone interact. energy: -0.120
local terms energy: -50.249674
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -11.209
flat angles P-C4'-P energy: -3.214
tors. eta vs tors. theta energy: -5.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -80.965185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.965185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.965185 (E_RNA)
where:
Base-Base interactions energy: -36.470
where: short stacking energy: -26.767
Base-Backbone interact. energy: 0.217
local terms energy: -44.712788
where:
bonds (distance) C4'-P energy: -11.251
bonds (distance) P-C4' energy: -7.806
flat angles C4'-P-C4' energy: -13.644
flat angles P-C4'-P energy: -8.461
tors. eta vs tors. theta energy: -3.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -213.140557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.140557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.140557 (E_RNA)
where:
Base-Base interactions energy: -133.655
where: short stacking energy: -65.594
Base-Backbone interact. energy: -0.075
local terms energy: -79.411300
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -17.804
flat angles P-C4'-P energy: -12.937
tors. eta vs tors. theta energy: -15.280
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: 2, replica: 9
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -203.051498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.051498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.051498 (E_RNA)
where:
Base-Base interactions energy: -137.644
where: short stacking energy: -60.495
Base-Backbone interact. energy: -0.405
local terms energy: -65.001672
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -14.943
flat angles C4'-P-C4' energy: -12.166
flat angles P-C4'-P energy: -11.481
tors. eta vs tors. theta energy: -14.275
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: 3, replica: 7
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -199.613634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.613634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.613634 (E_RNA)
where:
Base-Base interactions energy: -127.339
where: short stacking energy: -60.356
Base-Backbone interact. energy: -0.102
local terms energy: -72.172685
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -16.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -163.118186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.118186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.118186 (E_RNA)
where:
Base-Base interactions energy: -94.719
where: short stacking energy: -50.321
Base-Backbone interact. energy: -0.585
local terms energy: -67.814845
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -12.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -150.957290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.957290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.957290 (E_RNA)
where:
Base-Base interactions energy: -86.017
where: short stacking energy: -46.583
Base-Backbone interact. energy: -0.069
local terms energy: -64.871356
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -10.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -160.678280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.678280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.678280 (E_RNA)
where:
Base-Base interactions energy: -95.720
where: short stacking energy: -52.455
Base-Backbone interact. energy: -0.037
local terms energy: -64.920682
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -11.079
flat angles P-C4'-P energy: -8.445
tors. eta vs tors. theta energy: -13.964
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: 8
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -93.143111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.143111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.143111 (E_RNA)
where:
Base-Base interactions energy: -40.335
where: short stacking energy: -38.656
Base-Backbone interact. energy: -0.766
local terms energy: -52.042142
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -8.218
flat angles P-C4'-P energy: -7.551
tors. eta vs tors. theta energy: -7.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -89.868751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.868751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.868751 (E_RNA)
where:
Base-Base interactions energy: -44.228
where: short stacking energy: -18.423
Base-Backbone interact. energy: -0.129
local terms energy: -45.511603
where:
bonds (distance) C4'-P energy: -12.080
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -8.974
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: 1.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -93.193569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.193569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.193569 (E_RNA)
where:
Base-Base interactions energy: -37.388
where: short stacking energy: -21.949
Base-Backbone interact. energy: -0.038
local terms energy: -55.768334
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -10.032
flat angles P-C4'-P energy: -13.726
tors. eta vs tors. theta energy: -4.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -111.642604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.642604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.642604 (E_RNA)
where:
Base-Base interactions energy: -59.615
where: short stacking energy: -29.506
Base-Backbone interact. energy: -0.539
local terms energy: -51.488813
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -8.248
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -3.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -212.547139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.547139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.547139 (E_RNA)
where:
Base-Base interactions energy: -132.676
where: short stacking energy: -69.902
Base-Backbone interact. energy: -0.007
local terms energy: -79.864932
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -17.794
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: -21.877
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: 2, replica: 7
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -197.302789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.302789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.302789 (E_RNA)
where:
Base-Base interactions energy: -128.837
where: short stacking energy: -59.318
Base-Backbone interact. energy: -0.528
local terms energy: -67.938055
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -12.490
flat angles P-C4'-P energy: -8.764
tors. eta vs tors. theta energy: -16.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -201.924840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.924840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.924840 (E_RNA)
where:
Base-Base interactions energy: -131.383
where: short stacking energy: -56.503
Base-Backbone interact. energy: -0.107
local terms energy: -70.434643
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -12.497
tors. eta vs tors. theta energy: -14.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -153.137218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.137218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.137218 (E_RNA)
where:
Base-Base interactions energy: -88.661
where: short stacking energy: -50.930
Base-Backbone interact. energy: -0.401
local terms energy: -64.075310
where:
bonds (distance) C4'-P energy: -8.660
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -8.617
tors. eta vs tors. theta energy: -13.478
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: 5, replica: 5
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -149.427133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.427133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.427133 (E_RNA)
where:
Base-Base interactions energy: -90.027
where: short stacking energy: -51.060
Base-Backbone interact. energy: -0.030
local terms energy: -59.370263
where:
bonds (distance) C4'-P energy: -10.786
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -12.143
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: 6, replica: 8
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -151.113856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.113856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.113856 (E_RNA)
where:
Base-Base interactions energy: -101.139
where: short stacking energy: -38.730
Base-Backbone interact. energy: -0.558
local terms energy: -49.416645
where:
bonds (distance) C4'-P energy: -10.644
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -6.642
tors. eta vs tors. theta energy: -3.435
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: 4
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -128.972685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.972685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.972685 (E_RNA)
where:
Base-Base interactions energy: -76.888
where: short stacking energy: -45.316
Base-Backbone interact. energy: 0.671
local terms energy: -52.756144
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -11.041
flat angles P-C4'-P energy: -3.256
tors. eta vs tors. theta energy: -12.355
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: 1
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -89.563349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.563349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.563349 (E_RNA)
where:
Base-Base interactions energy: -36.451
where: short stacking energy: -23.086
Base-Backbone interact. energy: 1.016
local terms energy: -54.128223
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -10.067
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: 3
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -86.274265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.274265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.274265 (E_RNA)
where:
Base-Base interactions energy: -32.297
where: short stacking energy: -28.853
Base-Backbone interact. energy: 0.061
local terms energy: -54.037894
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -9.318
flat angles P-C4'-P energy: -7.323
tors. eta vs tors. theta energy: -3.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -82.503725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.503725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.503725 (E_RNA)
where:
Base-Base interactions energy: -41.024
where: short stacking energy: -25.101
Base-Backbone interact. energy: -0.074
local terms energy: -41.405042
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -11.660
flat angles C4'-P-C4' energy: -8.659
flat angles P-C4'-P energy: -4.827
tors. eta vs tors. theta energy: -4.338
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: 7
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -213.596408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.596408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.596408 (E_RNA)
where:
Base-Base interactions energy: -142.972
where: short stacking energy: -61.621
Base-Backbone interact. energy: -0.054
local terms energy: -70.570548
where:
bonds (distance) C4'-P energy: -16.161
bonds (distance) P-C4' energy: -12.853
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -8.752
tors. eta vs tors. theta energy: -16.870
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: 2
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -209.149546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.149546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.149546 (E_RNA)
where:
Base-Base interactions energy: -132.744
where: short stacking energy: -68.338
Base-Backbone interact. energy: -0.005
local terms energy: -76.400467
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -17.093
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -10.526
tors. eta vs tors. theta energy: -19.247
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: 9
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -204.939657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.939657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.939657 (E_RNA)
where:
Base-Base interactions energy: -135.471
where: short stacking energy: -53.593
Base-Backbone interact. energy: -1.728
local terms energy: -67.739995
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -11.925
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: -15.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -170.483819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.483819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.483819 (E_RNA)
where:
Base-Base interactions energy: -100.382
where: short stacking energy: -50.361
Base-Backbone interact. energy: -0.131
local terms energy: -69.970056
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -16.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -182.250546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.250546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.250546 (E_RNA)
where:
Base-Base interactions energy: -119.859
where: short stacking energy: -60.957
Base-Backbone interact. energy: -0.048
local terms energy: -62.343925
where:
bonds (distance) C4'-P energy: -8.795
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -11.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -129.583321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.583321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.583321 (E_RNA)
where:
Base-Base interactions energy: -74.071
where: short stacking energy: -43.246
Base-Backbone interact. energy: 0.239
local terms energy: -55.751890
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -6.463
tors. eta vs tors. theta energy: -7.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -132.068069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.068069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.068069 (E_RNA)
where:
Base-Base interactions energy: -74.453
where: short stacking energy: -35.724
Base-Backbone interact. energy: 0.698
local terms energy: -58.313627
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -13.779
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -10.746
tors. eta vs tors. theta energy: -3.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -98.010639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.010639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.010639 (E_RNA)
where:
Base-Base interactions energy: -45.037
where: short stacking energy: -34.648
Base-Backbone interact. energy: -0.324
local terms energy: -52.649956
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -12.525
flat angles C4'-P-C4' energy: -13.157
flat angles P-C4'-P energy: -10.875
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: 6
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -87.080474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.080474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.080474 (E_RNA)
where:
Base-Base interactions energy: -30.682
where: short stacking energy: -25.427
Base-Backbone interact. energy: -0.075
local terms energy: -56.323922
where:
bonds (distance) C4'-P energy: -12.013
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -16.748
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -2.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -88.399522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.399522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.399522 (E_RNA)
where:
Base-Base interactions energy: -39.331
where: short stacking energy: -35.705
Base-Backbone interact. energy: -1.452
local terms energy: -47.616034
where:
bonds (distance) C4'-P energy: -9.081
bonds (distance) P-C4' energy: -7.727
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -9.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -216.817251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.817251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.817251 (E_RNA)
where:
Base-Base interactions energy: -151.272
where: short stacking energy: -67.540
Base-Backbone interact. energy: -0.002
local terms energy: -65.542882
where:
bonds (distance) C4'-P energy: -16.199
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -5.327
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: 2, replica: 2
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -205.654084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.654084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.654084 (E_RNA)
where:
Base-Base interactions energy: -132.158
where: short stacking energy: -65.581
Base-Backbone interact. energy: 3.533
local terms energy: -77.029589
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -13.510
tors. eta vs tors. theta energy: -17.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -185.857953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.857953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.857953 (E_RNA)
where:
Base-Base interactions energy: -121.486
where: short stacking energy: -62.328
Base-Backbone interact. energy: -0.043
local terms energy: -64.328399
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -8.961
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -12.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -206.900119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.900119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.900119 (E_RNA)
where:
Base-Base interactions energy: -134.834
where: short stacking energy: -71.147
Base-Backbone interact. energy: -0.003
local terms energy: -72.062851
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -21.478
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: 5, replica: 10
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -142.892267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.892267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.892267 (E_RNA)
where:
Base-Base interactions energy: -84.193
where: short stacking energy: -49.443
Base-Backbone interact. energy: 0.472
local terms energy: -59.170479
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -17.462
flat angles P-C4'-P energy: -4.384
tors. eta vs tors. theta energy: -5.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -137.673141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.673141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.673141 (E_RNA)
where:
Base-Base interactions energy: -76.985
where: short stacking energy: -45.627
Base-Backbone interact. energy: -0.911
local terms energy: -59.776479
where:
bonds (distance) C4'-P energy: -14.382
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -10.759
flat angles P-C4'-P energy: -10.511
tors. eta vs tors. theta energy: -6.851
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: 5
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -127.311545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.311545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.311545 (E_RNA)
where:
Base-Base interactions energy: -69.858
where: short stacking energy: -42.527
Base-Backbone interact. energy: -0.073
local terms energy: -57.380508
where:
bonds (distance) C4'-P energy: -12.599
bonds (distance) P-C4' energy: -9.802
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -9.169
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: 6
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -100.757768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.757768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.757768 (E_RNA)
where:
Base-Base interactions energy: -48.883
where: short stacking energy: -26.027
Base-Backbone interact. energy: 2.534
local terms energy: -54.409323
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -13.618
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -6.044
tors. eta vs tors. theta energy: -6.730
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: 33
Temperature: 1.300000
Total energy: -102.356808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.356808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.356808 (E_RNA)
where:
Base-Base interactions energy: -44.415
where: short stacking energy: -35.265
Base-Backbone interact. energy: -0.369
local terms energy: -57.573498
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -14.095
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -8.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -95.686776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.686776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.686776 (E_RNA)
where:
Base-Base interactions energy: -47.589
where: short stacking energy: -27.549
Base-Backbone interact. energy: -0.057
local terms energy: -48.041071
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -11.176
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -0.797
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: 2
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -207.358763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.358763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.358763 (E_RNA)
where:
Base-Base interactions energy: -136.537
where: short stacking energy: -68.040
Base-Backbone interact. energy: -0.012
local terms energy: -70.810158
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: -13.506
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: 7
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -216.483639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.483639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.483639 (E_RNA)
where:
Base-Base interactions energy: -152.818
where: short stacking energy: -64.519
Base-Backbone interact. energy: -0.449
local terms energy: -63.216945
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -10.535
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -5.804
tors. eta vs tors. theta energy: -17.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -216.920017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.920017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.920017 (E_RNA)
where:
Base-Base interactions energy: -140.887
where: short stacking energy: -74.397
Base-Backbone interact. energy: -0.003
local terms energy: -76.029356
where:
bonds (distance) C4'-P energy: -10.259
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -16.605
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -21.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -183.332261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.332261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.332261 (E_RNA)
where:
Base-Base interactions energy: -116.534
where: short stacking energy: -53.887
Base-Backbone interact. energy: -0.612
local terms energy: -66.185482
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -11.706
flat angles P-C4'-P energy: -5.354
tors. eta vs tors. theta energy: -16.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -154.540431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.540431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.540431 (E_RNA)
where:
Base-Base interactions energy: -91.161
where: short stacking energy: -51.522
Base-Backbone interact. energy: -0.116
local terms energy: -63.263139
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -14.914
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -9.958
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: 6, replica: 10
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -149.821862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.821862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.821862 (E_RNA)
where:
Base-Base interactions energy: -87.624
where: short stacking energy: -50.061
Base-Backbone interact. energy: 0.159
local terms energy: -62.356476
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -12.410
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -8.174
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: 7, replica: 6
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -146.348051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.348051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.348051 (E_RNA)
where:
Base-Base interactions energy: -96.655
where: short stacking energy: -44.611
Base-Backbone interact. energy: -0.235
local terms energy: -49.457446
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -13.409
flat angles C4'-P-C4' energy: -8.648
flat angles P-C4'-P energy: -5.577
tors. eta vs tors. theta energy: -8.144
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: 8, replica: 5
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -85.415878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.415878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.415878 (E_RNA)
where:
Base-Base interactions energy: -27.647
where: short stacking energy: -27.647
Base-Backbone interact. energy: 1.918
local terms energy: -59.686927
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -13.184
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -6.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -88.893226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.893226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.893226 (E_RNA)
where:
Base-Base interactions energy: -34.065
where: short stacking energy: -17.213
Base-Backbone interact. energy: -0.146
local terms energy: -54.681607
where:
bonds (distance) C4'-P energy: -9.648
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -12.871
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -4.735
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: 1
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -74.209678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.209678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.209678 (E_RNA)
where:
Base-Base interactions energy: -29.880
where: short stacking energy: -24.890
Base-Backbone interact. energy: 2.113
local terms energy: -46.443142
where:
bonds (distance) C4'-P energy: -10.128
bonds (distance) P-C4' energy: -12.994
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -7.417
tors. eta vs tors. theta energy: -2.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -218.279533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.279533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.279533 (E_RNA)
where:
Base-Base interactions energy: -145.419
where: short stacking energy: -74.371
Base-Backbone interact. energy: 0.418
local terms energy: -73.278253
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -16.912
flat angles P-C4'-P energy: -10.587
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: 2, replica: 8
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -224.659427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.659427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.659427 (E_RNA)
where:
Base-Base interactions energy: -143.512
where: short stacking energy: -68.789
Base-Backbone interact. energy: -0.002
local terms energy: -81.146252
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: -21.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -209.170424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.170424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.170424 (E_RNA)
where:
Base-Base interactions energy: -137.391
where: short stacking energy: -59.772
Base-Backbone interact. energy: -0.215
local terms energy: -71.565071
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -8.810
tors. eta vs tors. theta energy: -15.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -184.559668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.559668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.559668 (E_RNA)
where:
Base-Base interactions energy: -118.973
where: short stacking energy: -59.756
Base-Backbone interact. energy: 0.695
local terms energy: -66.281559
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -16.321
flat angles C4'-P-C4' energy: -12.177
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -13.163
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: 4
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -147.481248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.481248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.481248 (E_RNA)
where:
Base-Base interactions energy: -80.974
where: short stacking energy: -44.531
Base-Backbone interact. energy: -0.255
local terms energy: -66.252405
where:
bonds (distance) C4'-P energy: -16.462
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -10.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -148.002111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.002111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.002111 (E_RNA)
where:
Base-Base interactions energy: -94.475
where: short stacking energy: -38.298
Base-Backbone interact. energy: 0.339
local terms energy: -53.865448
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -13.792
flat angles C4'-P-C4' energy: -15.855
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -1.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -144.807054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.807054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.807054 (E_RNA)
where:
Base-Base interactions energy: -89.117
where: short stacking energy: -42.034
Base-Backbone interact. energy: 0.070
local terms energy: -55.760031
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -7.992
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: 35
Temperature: 1.250000
Total energy: -98.224320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.224320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.224320 (E_RNA)
where:
Base-Base interactions energy: -55.640
where: short stacking energy: -27.777
Base-Backbone interact. energy: -0.058
local terms energy: -42.525986
where:
bonds (distance) C4'-P energy: -10.195
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -4.010
flat angles P-C4'-P energy: -7.043
tors. eta vs tors. theta energy: -3.358
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: 9, replica: 5
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -81.986061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.986061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.986061 (E_RNA)
where:
Base-Base interactions energy: -32.969
where: short stacking energy: -26.621
Base-Backbone interact. energy: -0.124
local terms energy: -48.892794
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -4.898
tors. eta vs tors. theta energy: -1.742
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: 10, replica: 1
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -84.645189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.645189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.645189 (E_RNA)
where:
Base-Base interactions energy: -26.803
where: short stacking energy: -26.803
Base-Backbone interact. energy: -0.099
local terms energy: -57.743631
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -14.531
flat angles C4'-P-C4' energy: -10.746
flat angles P-C4'-P energy: -13.401
tors. eta vs tors. theta energy: -4.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -229.613171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.613171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.613171 (E_RNA)
where:
Base-Base interactions energy: -149.846
where: short stacking energy: -78.282
Base-Backbone interact. energy: -0.020
local terms energy: -79.747073
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -18.544
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -18.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -206.069438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.069438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.069438 (E_RNA)
where:
Base-Base interactions energy: -142.260
where: short stacking energy: -68.535
Base-Backbone interact. energy: -0.018
local terms energy: -63.791105
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -6.527
tors. eta vs tors. theta energy: -15.166
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: 3, replica: 9
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -202.227679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.227679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.227679 (E_RNA)
where:
Base-Base interactions energy: -128.714
where: short stacking energy: -64.270
Base-Backbone interact. energy: -0.341
local terms energy: -73.173124
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -16.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -204.211209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.211209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.211209 (E_RNA)
where:
Base-Base interactions energy: -142.669
where: short stacking energy: -63.059
Base-Backbone interact. energy: -0.061
local terms energy: -61.480917
where:
bonds (distance) C4'-P energy: -10.675
bonds (distance) P-C4' energy: -14.200
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -8.469
tors. eta vs tors. theta energy: -15.707
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: 5, replica: 6
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -141.380118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.380118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.380118 (E_RNA)
where:
Base-Base interactions energy: -85.604
where: short stacking energy: -41.301
Base-Backbone interact. energy: -0.918
local terms energy: -54.858066
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -12.247
flat angles P-C4'-P energy: -8.649
tors. eta vs tors. theta energy: -6.759
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: 6, replica: 4
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -141.033627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.033627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.033627 (E_RNA)
where:
Base-Base interactions energy: -74.264
where: short stacking energy: -45.584
Base-Backbone interact. energy: -0.120
local terms energy: -66.649818
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -17.702
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: -9.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -136.125087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.125087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.125087 (E_RNA)
where:
Base-Base interactions energy: -74.614
where: short stacking energy: -39.797
Base-Backbone interact. energy: -0.736
local terms energy: -60.774803
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -8.283
tors. eta vs tors. theta energy: -9.560
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: 8, replica: 3
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -91.694075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.694075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.694075 (E_RNA)
where:
Base-Base interactions energy: -35.316
where: short stacking energy: -35.316
Base-Backbone interact. energy: -0.092
local terms energy: -56.286294
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -12.002
flat angles P-C4'-P energy: -4.051
tors. eta vs tors. theta energy: -8.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -79.247753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.247753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.247753 (E_RNA)
where:
Base-Base interactions energy: -28.161
where: short stacking energy: -22.813
Base-Backbone interact. energy: -0.212
local terms energy: -50.874642
where:
bonds (distance) C4'-P energy: -13.024
bonds (distance) P-C4' energy: -13.132
flat angles C4'-P-C4' energy: -11.784
flat angles P-C4'-P energy: -10.114
tors. eta vs tors. theta energy: -2.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -75.983123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.983123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.983123 (E_RNA)
where:
Base-Base interactions energy: -28.798
where: short stacking energy: -28.177
Base-Backbone interact. energy: 3.257
local terms energy: -50.442281
where:
bonds (distance) C4'-P energy: -10.045
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -9.977
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: 37
Temperature: 0.900000
Total energy: -236.489146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.489146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.489146 (E_RNA)
where:
Base-Base interactions energy: -158.918
where: short stacking energy: -85.211
Base-Backbone interact. energy: -0.026
local terms energy: -77.545272
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -14.596
flat angles P-C4'-P energy: -12.296
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: 2, replica: 2
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -197.474978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.474978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.474978 (E_RNA)
where:
Base-Base interactions energy: -127.257
where: short stacking energy: -59.395
Base-Backbone interact. energy: -0.061
local terms energy: -70.156632
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -15.365
flat angles P-C4'-P energy: -8.324
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: 3, replica: 9
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -201.083559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.083559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.083559 (E_RNA)
where:
Base-Base interactions energy: -127.393
where: short stacking energy: -63.416
Base-Backbone interact. energy: -0.007
local terms energy: -73.683542
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -15.979
flat angles C4'-P-C4' energy: -16.645
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -16.634
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: 7
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -184.854446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.854446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.854446 (E_RNA)
where:
Base-Base interactions energy: -111.216
where: short stacking energy: -51.534
Base-Backbone interact. energy: -0.087
local terms energy: -73.551228
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -13.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -136.051669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.051669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.051669 (E_RNA)
where:
Base-Base interactions energy: -76.747
where: short stacking energy: -40.339
Base-Backbone interact. energy: 0.609
local terms energy: -59.913559
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -12.891
flat angles P-C4'-P energy: -9.420
tors. eta vs tors. theta energy: -8.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -149.389592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.389592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.389592 (E_RNA)
where:
Base-Base interactions energy: -86.830
where: short stacking energy: -41.194
Base-Backbone interact. energy: -0.012
local terms energy: -62.547578
where:
bonds (distance) C4'-P energy: -9.987
bonds (distance) P-C4' energy: -15.612
flat angles C4'-P-C4' energy: -15.462
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -10.445
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: 10
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -128.495759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.495759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.495759 (E_RNA)
where:
Base-Base interactions energy: -70.925
where: short stacking energy: -36.298
Base-Backbone interact. energy: -0.150
local terms energy: -57.421224
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -5.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -85.646434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.646434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.646434 (E_RNA)
where:
Base-Base interactions energy: -36.218
where: short stacking energy: -34.847
Base-Backbone interact. energy: -0.002
local terms energy: -49.426954
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -13.114
flat angles C4'-P-C4' energy: -11.807
flat angles P-C4'-P energy: -5.473
tors. eta vs tors. theta energy: -7.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -82.384527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.384527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.384527 (E_RNA)
where:
Base-Base interactions energy: -40.444
where: short stacking energy: -19.877
Base-Backbone interact. energy: -0.165
local terms energy: -41.775395
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -9.675
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -2.345
tors. eta vs tors. theta energy: -1.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -74.431253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.431253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.431253 (E_RNA)
where:
Base-Base interactions energy: -27.948
where: short stacking energy: -24.149
Base-Backbone interact. energy: -0.115
local terms energy: -46.368827
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -11.905
flat angles C4'-P-C4' energy: -12.223
flat angles P-C4'-P energy: -7.264
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: 1, replica: 8
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -231.648477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.648477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.648477 (E_RNA)
where:
Base-Base interactions energy: -150.261
where: short stacking energy: -72.804
Base-Backbone interact. energy: -0.000
local terms energy: -81.386808
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -14.823
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -21.108
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: 2
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -208.669115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.669115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.669115 (E_RNA)
where:
Base-Base interactions energy: -128.683
where: short stacking energy: -69.659
Base-Backbone interact. energy: -0.003
local terms energy: -79.983310
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -13.605
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -13.035
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: 3, replica: 9
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -188.711059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.711059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.711059 (E_RNA)
where:
Base-Base interactions energy: -117.810
where: short stacking energy: -59.301
Base-Backbone interact. energy: -0.130
local terms energy: -70.770573
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -16.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -185.831708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.831708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.831708 (E_RNA)
where:
Base-Base interactions energy: -111.254
where: short stacking energy: -51.174
Base-Backbone interact. energy: -0.563
local terms energy: -74.014741
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -16.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -146.133537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.133537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.133537 (E_RNA)
where:
Base-Base interactions energy: -82.724
where: short stacking energy: -34.719
Base-Backbone interact. energy: -0.608
local terms energy: -62.801360
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -15.826
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -6.628
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: 6, replica: 6
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -141.254908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.254908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.254908 (E_RNA)
where:
Base-Base interactions energy: -78.361
where: short stacking energy: -29.551
Base-Backbone interact. energy: -1.234
local terms energy: -61.660113
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -15.845
flat angles P-C4'-P energy: -6.755
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: 7, replica: 3
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -96.586839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.586839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.586839 (E_RNA)
where:
Base-Base interactions energy: -40.826
where: short stacking energy: -31.366
Base-Backbone interact. energy: -0.320
local terms energy: -55.439978
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -7.353
tors. eta vs tors. theta energy: -6.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -100.178079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.178079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.178079 (E_RNA)
where:
Base-Base interactions energy: -47.769
where: short stacking energy: -36.705
Base-Backbone interact. energy: -0.270
local terms energy: -52.138984
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -9.462
flat angles P-C4'-P energy: -6.723
tors. eta vs tors. theta energy: -6.757
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: 5
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -78.886107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.886107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.886107 (E_RNA)
where:
Base-Base interactions energy: -29.739
where: short stacking energy: -29.739
Base-Backbone interact. energy: -0.052
local terms energy: -49.095795
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -14.956
flat angles C4'-P-C4' energy: -10.001
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -1.645
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: 38
Temperature: 1.350000
Total energy: -78.002381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.002381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.002381 (E_RNA)
where:
Base-Base interactions energy: -25.875
where: short stacking energy: -21.839
Base-Backbone interact. energy: -0.620
local terms energy: -51.506960
where:
bonds (distance) C4'-P energy: -9.328
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -14.132
flat angles P-C4'-P energy: -6.412
tors. eta vs tors. theta energy: -4.312
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: 1, replica: 8
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -232.436570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.436570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.436570 (E_RNA)
where:
Base-Base interactions energy: -153.194
where: short stacking energy: -72.010
Base-Backbone interact. energy: -0.429
local terms energy: -78.814387
where:
bonds (distance) C4'-P energy: -16.479
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -16.211
flat angles P-C4'-P energy: -11.571
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: 2, replica: 2
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -200.978292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.978292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.978292 (E_RNA)
where:
Base-Base interactions energy: -134.653
where: short stacking energy: -57.211
Base-Backbone interact. energy: -0.114
local terms energy: -66.211204
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -15.597
flat angles C4'-P-C4' energy: -11.382
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -11.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -195.127866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.127866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.127866 (E_RNA)
where:
Base-Base interactions energy: -123.777
where: short stacking energy: -60.952
Base-Backbone interact. energy: -0.716
local terms energy: -70.635716
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -8.370
tors. eta vs tors. theta energy: -15.147
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: 4, replica: 7
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -189.964701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.964701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.964701 (E_RNA)
where:
Base-Base interactions energy: -117.485
where: short stacking energy: -61.661
Base-Backbone interact. energy: -0.009
local terms energy: -72.470993
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -17.534
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -17.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -133.700862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.700862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.700862 (E_RNA)
where:
Base-Base interactions energy: -76.197
where: short stacking energy: -46.825
Base-Backbone interact. energy: 0.439
local terms energy: -57.942176
where:
bonds (distance) C4'-P energy: -11.558
bonds (distance) P-C4' energy: -17.010
flat angles C4'-P-C4' energy: -14.124
flat angles P-C4'-P energy: -7.535
tors. eta vs tors. theta energy: -7.715
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: 39
Temperature: 1.150000
Total energy: -111.638486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.638486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.638486 (E_RNA)
where:
Base-Base interactions energy: -53.987
where: short stacking energy: -49.830
Base-Backbone interact. energy: 0.598
local terms energy: -58.249257
where:
bonds (distance) C4'-P energy: -11.665
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -7.501
tors. eta vs tors. theta energy: -11.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -143.510255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.510255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.510255 (E_RNA)
where:
Base-Base interactions energy: -87.747
where: short stacking energy: -56.041
Base-Backbone interact. energy: -0.145
local terms energy: -55.618253
where:
bonds (distance) C4'-P energy: -12.899
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -11.418
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: -9.029
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: 5
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -83.599309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.599309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.599309 (E_RNA)
where:
Base-Base interactions energy: -31.959
where: short stacking energy: -31.624
Base-Backbone interact. energy: -0.028
local terms energy: -51.611898
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -11.678
flat angles C4'-P-C4' energy: -12.964
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: -6.647
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: 10
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -89.740711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.740711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.740711 (E_RNA)
where:
Base-Base interactions energy: -41.115
where: short stacking energy: -32.117
Base-Backbone interact. energy: -0.273
local terms energy: -48.352962
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -12.790
flat angles C4'-P-C4' energy: -11.931
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -0.422
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: 39
Temperature: 1.350000
Total energy: -72.225802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.225802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.225802 (E_RNA)
where:
Base-Base interactions energy: -21.021
where: short stacking energy: -21.021
Base-Backbone interact. energy: -0.540
local terms energy: -50.664466
where:
bonds (distance) C4'-P energy: -10.224
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -2.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -235.994681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.994681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.994681 (E_RNA)
where:
Base-Base interactions energy: -159.390
where: short stacking energy: -79.333
Base-Backbone interact. energy: 0.082
local terms energy: -76.686756
where:
bonds (distance) C4'-P energy: -10.795
bonds (distance) P-C4' energy: -13.369
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -13.907
tors. eta vs tors. theta energy: -21.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -211.485008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.485008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.485008 (E_RNA)
where:
Base-Base interactions energy: -136.821
where: short stacking energy: -64.380
Base-Backbone interact. energy: -0.401
local terms energy: -74.262399
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -14.687
flat angles C4'-P-C4' energy: -15.726
flat angles P-C4'-P energy: -11.388
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: 3, replica: 9
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -198.322860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.322860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.322860 (E_RNA)
where:
Base-Base interactions energy: -136.946
where: short stacking energy: -59.542
Base-Backbone interact. energy: 1.830
local terms energy: -63.206407
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: -11.601
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: 7
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -190.097813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.097813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.097813 (E_RNA)
where:
Base-Base interactions energy: -117.192
where: short stacking energy: -62.959
Base-Backbone interact. energy: -0.006
local terms energy: -72.899954
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -16.881
flat angles P-C4'-P energy: -12.136
tors. eta vs tors. theta energy: -15.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -156.463110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.463110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.463110 (E_RNA)
where:
Base-Base interactions energy: -96.383
where: short stacking energy: -54.887
Base-Backbone interact. energy: -0.008
local terms energy: -60.072277
where:
bonds (distance) C4'-P energy: -10.546
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -11.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -105.929772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.929772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.929772 (E_RNA)
where:
Base-Base interactions energy: -47.046
where: short stacking energy: -30.823
Base-Backbone interact. energy: -0.026
local terms energy: -58.858332
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -15.141
flat angles P-C4'-P energy: -5.350
tors. eta vs tors. theta energy: -6.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -103.908787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.908787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.908787 (E_RNA)
where:
Base-Base interactions energy: -57.519
where: short stacking energy: -27.589
Base-Backbone interact. energy: 0.285
local terms energy: -46.674601
where:
bonds (distance) C4'-P energy: -11.383
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -6.191
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: 8, replica: 6
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -78.749746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.749746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.749746 (E_RNA)
where:
Base-Base interactions energy: -28.742
where: short stacking energy: -13.260
Base-Backbone interact. energy: -0.078
local terms energy: -49.929378
where:
bonds (distance) C4'-P energy: -11.442
bonds (distance) P-C4' energy: -16.059
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: 2.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -80.755898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.755898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.755898 (E_RNA)
where:
Base-Base interactions energy: -25.783
where: short stacking energy: -24.699
Base-Backbone interact. energy: 0.950
local terms energy: -55.923314
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -12.358
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -3.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -78.154081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.154081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.154081 (E_RNA)
where:
Base-Base interactions energy: -32.259
where: short stacking energy: -31.109
Base-Backbone interact. energy: 0.713
local terms energy: -46.607477
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -11.572
flat angles P-C4'-P energy: 0.158
tors. eta vs tors. theta energy: -8.639
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: 1, replica: 8
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -229.890921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.890921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.890921 (E_RNA)
where:
Base-Base interactions energy: -160.388
where: short stacking energy: -73.689
Base-Backbone interact. energy: -0.021
local terms energy: -69.482137
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -6.900
tors. eta vs tors. theta energy: -16.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -205.820076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.820076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.820076 (E_RNA)
where:
Base-Base interactions energy: -135.510
where: short stacking energy: -64.782
Base-Backbone interact. energy: -0.011
local terms energy: -70.299133
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -12.666
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -16.397
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: 9
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -193.493845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.493845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.493845 (E_RNA)
where:
Base-Base interactions energy: -128.408
where: short stacking energy: -61.727
Base-Backbone interact. energy: 0.467
local terms energy: -65.552697
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -15.192
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: -12.393
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: 41
Temperature: 1.050000
Total energy: -198.203111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.203111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.203111 (E_RNA)
where:
Base-Base interactions energy: -128.491
where: short stacking energy: -70.061
Base-Backbone interact. energy: -0.007
local terms energy: -69.705130
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -16.726
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: 4
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -173.308164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.308164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.308164 (E_RNA)
where:
Base-Base interactions energy: -101.107
where: short stacking energy: -63.241
Base-Backbone interact. energy: -0.044
local terms energy: -72.156843
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -14.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -112.397253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.397253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.397253 (E_RNA)
where:
Base-Base interactions energy: -51.799
where: short stacking energy: -38.346
Base-Backbone interact. energy: -0.266
local terms energy: -60.332578
where:
bonds (distance) C4'-P energy: -12.023
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -14.833
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: -6.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -101.601374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.601374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.601374 (E_RNA)
where:
Base-Base interactions energy: -50.375
where: short stacking energy: -33.534
Base-Backbone interact. energy: -0.069
local terms energy: -51.157098
where:
bonds (distance) C4'-P energy: -14.949
bonds (distance) P-C4' energy: -16.063
flat angles C4'-P-C4' energy: -13.757
flat angles P-C4'-P energy: -10.321
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: 8, replica: 1
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -91.184815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.184815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.184815 (E_RNA)
where:
Base-Base interactions energy: -41.573
where: short stacking energy: -25.448
Base-Backbone interact. energy: -0.092
local terms energy: -49.519489
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -10.974
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -4.428
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: 6
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -74.773130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.773130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.773130 (E_RNA)
where:
Base-Base interactions energy: -33.665
where: short stacking energy: -33.111
Base-Backbone interact. energy: -0.426
local terms energy: -40.681908
where:
bonds (distance) C4'-P energy: -9.350
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -11.086
flat angles P-C4'-P energy: -0.236
tors. eta vs tors. theta energy: -3.754
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: 10
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -84.371187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.371187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.371187 (E_RNA)
where:
Base-Base interactions energy: -34.553
where: short stacking energy: -34.553
Base-Backbone interact. energy: -0.016
local terms energy: -49.802127
where:
bonds (distance) C4'-P energy: -12.901
bonds (distance) P-C4' energy: -10.876
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -5.136
tors. eta vs tors. theta energy: -7.345
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: 42
Temperature: 0.900000
Total energy: -236.512343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.512343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.512343 (E_RNA)
where:
Base-Base interactions energy: -157.978
where: short stacking energy: -75.827
Base-Backbone interact. energy: -0.002
local terms energy: -78.532025
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: -21.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -211.136608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.136608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.136608 (E_RNA)
where:
Base-Base interactions energy: -141.037
where: short stacking energy: -52.872
Base-Backbone interact. energy: 0.347
local terms energy: -70.446613
where:
bonds (distance) C4'-P energy: -12.477
bonds (distance) P-C4' energy: -15.324
flat angles C4'-P-C4' energy: -13.988
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -16.004
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: 7
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -195.370349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.370349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.370349 (E_RNA)
where:
Base-Base interactions energy: -125.756
where: short stacking energy: -54.837
Base-Backbone interact. energy: -0.158
local terms energy: -69.456980
where:
bonds (distance) C4'-P energy: -13.463
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -17.961
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -15.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -183.459164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.459164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.459164 (E_RNA)
where:
Base-Base interactions energy: -115.062
where: short stacking energy: -50.872
Base-Backbone interact. energy: -0.367
local terms energy: -68.030907
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -8.568
flat angles P-C4'-P energy: -11.508
tors. eta vs tors. theta energy: -16.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -156.336175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.336175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.336175 (E_RNA)
where:
Base-Base interactions energy: -89.061
where: short stacking energy: -48.855
Base-Backbone interact. energy: 0.173
local terms energy: -67.448218
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -14.293
flat angles P-C4'-P energy: -9.301
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: 6, replica: 5
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -95.756969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.756969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.756969 (E_RNA)
where:
Base-Base interactions energy: -45.997
where: short stacking energy: -45.806
Base-Backbone interact. energy: -0.024
local terms energy: -49.735555
where:
bonds (distance) C4'-P energy: -3.085
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -12.077
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -10.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -89.043443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.043443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.043443 (E_RNA)
where:
Base-Base interactions energy: -37.825
where: short stacking energy: -28.198
Base-Backbone interact. energy: -0.240
local terms energy: -50.977930
where:
bonds (distance) C4'-P energy: -9.935
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -9.034
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: 8, replica: 3
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -98.299635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.299635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.299635 (E_RNA)
where:
Base-Base interactions energy: -49.437
where: short stacking energy: -47.614
Base-Backbone interact. energy: -0.350
local terms energy: -48.512976
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -14.615
flat angles C4'-P-C4' energy: -8.233
flat angles P-C4'-P energy: -5.085
tors. eta vs tors. theta energy: -6.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -85.178498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.178498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.178498 (E_RNA)
where:
Base-Base interactions energy: -29.062
where: short stacking energy: -27.056
Base-Backbone interact. energy: -0.052
local terms energy: -56.064679
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -12.154
flat angles C4'-P-C4' energy: -13.449
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -4.447
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: 6
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -70.071655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.071655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.071655 (E_RNA)
where:
Base-Base interactions energy: -23.774
where: short stacking energy: -23.178
Base-Backbone interact. energy: -0.251
local terms energy: -46.047146
where:
bonds (distance) C4'-P energy: -13.758
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -5.701
tors. eta vs tors. theta energy: 3.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -227.586755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.586755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.586755 (E_RNA)
where:
Base-Base interactions energy: -149.549
where: short stacking energy: -69.947
Base-Backbone interact. energy: -0.631
local terms energy: -77.406481
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -20.816
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: 7
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -188.975483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.975483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.975483 (E_RNA)
where:
Base-Base interactions energy: -126.596
where: short stacking energy: -60.577
Base-Backbone interact. energy: 0.044
local terms energy: -62.423412
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -15.489
flat angles C4'-P-C4' energy: -12.247
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -11.607
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: 2
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -209.262238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.262238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.262238 (E_RNA)
where:
Base-Base interactions energy: -137.186
where: short stacking energy: -64.407
Base-Backbone interact. energy: -0.151
local terms energy: -71.924351
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -15.618
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -12.472
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: 4, replica: 9
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -216.234483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.234483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.234483 (E_RNA)
where:
Base-Base interactions energy: -147.571
where: short stacking energy: -62.666
Base-Backbone interact. energy: -0.337
local terms energy: -68.326608
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -16.999
flat angles P-C4'-P energy: -6.793
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: 4
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -148.799156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.799156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.799156 (E_RNA)
where:
Base-Base interactions energy: -86.002
where: short stacking energy: -52.118
Base-Backbone interact. energy: -0.894
local terms energy: -61.902400
where:
bonds (distance) C4'-P energy: -14.805
bonds (distance) P-C4' energy: -12.977
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -5.917
tors. eta vs tors. theta energy: -12.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -126.580882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.580882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.580882 (E_RNA)
where:
Base-Base interactions energy: -74.922
where: short stacking energy: -35.767
Base-Backbone interact. energy: 0.106
local terms energy: -51.765436
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -0.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -79.599812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.599812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.599812 (E_RNA)
where:
Base-Base interactions energy: -46.035
where: short stacking energy: -28.185
Base-Backbone interact. energy: -0.899
local terms energy: -32.666007
where:
bonds (distance) C4'-P energy: -5.744
bonds (distance) P-C4' energy: -10.675
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -5.636
tors. eta vs tors. theta energy: 3.204
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: 43
Temperature: 1.250000
Total energy: -88.061535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.061535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.061535 (E_RNA)
where:
Base-Base interactions energy: -35.304
where: short stacking energy: -24.884
Base-Backbone interact. energy: -1.013
local terms energy: -51.744091
where:
bonds (distance) C4'-P energy: -11.719
bonds (distance) P-C4' energy: -14.954
flat angles C4'-P-C4' energy: -10.911
flat angles P-C4'-P energy: -7.864
tors. eta vs tors. theta energy: -6.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -112.281341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.281341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.281341 (E_RNA)
where:
Base-Base interactions energy: -65.295
where: short stacking energy: -29.369
Base-Backbone interact. energy: -0.003
local terms energy: -46.983528
where:
bonds (distance) C4'-P energy: -10.769
bonds (distance) P-C4' energy: -11.396
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -4.312
tors. eta vs tors. theta energy: -4.212
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: 6
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -73.777387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.777387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.777387 (E_RNA)
where:
Base-Base interactions energy: -36.399
where: short stacking energy: -21.894
Base-Backbone interact. energy: -0.228
local terms energy: -37.151075
where:
bonds (distance) C4'-P energy: -10.381
bonds (distance) P-C4' energy: -8.018
flat angles C4'-P-C4' energy: -10.555
flat angles P-C4'-P energy: -4.455
tors. eta vs tors. theta energy: -3.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -227.083001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.083001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.083001 (E_RNA)
where:
Base-Base interactions energy: -144.254
where: short stacking energy: -72.820
Base-Backbone interact. energy: -0.091
local terms energy: -82.737845
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -17.901
flat angles P-C4'-P energy: -12.072
tors. eta vs tors. theta energy: -20.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -193.960227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.960227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.960227 (E_RNA)
where:
Base-Base interactions energy: -117.047
where: short stacking energy: -56.845
Base-Backbone interact. energy: -0.002
local terms energy: -76.911841
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -15.210
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -13.452
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: 3, replica: 9
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -219.474883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.474883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.474883 (E_RNA)
where:
Base-Base interactions energy: -146.933
where: short stacking energy: -69.580
Base-Backbone interact. energy: -0.276
local terms energy: -72.265756
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -17.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -195.013870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.013870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.013870 (E_RNA)
where:
Base-Base interactions energy: -131.448
where: short stacking energy: -54.659
Base-Backbone interact. energy: -1.249
local terms energy: -62.316691
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -13.502
flat angles C4'-P-C4' energy: -12.484
flat angles P-C4'-P energy: -7.980
tors. eta vs tors. theta energy: -15.068
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: 1
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -164.306678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.306678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.306678 (E_RNA)
where:
Base-Base interactions energy: -98.925
where: short stacking energy: -59.676
Base-Backbone interact. energy: -0.092
local terms energy: -65.289925
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: -14.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -133.193105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.193105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.193105 (E_RNA)
where:
Base-Base interactions energy: -73.392
where: short stacking energy: -41.761
Base-Backbone interact. energy: -0.014
local terms energy: -59.787387
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -7.407
tors. eta vs tors. theta energy: -7.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -92.008537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.008537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.008537 (E_RNA)
where:
Base-Base interactions energy: -37.070
where: short stacking energy: -37.070
Base-Backbone interact. energy: -0.022
local terms energy: -54.916723
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -12.113
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -6.922
tors. eta vs tors. theta energy: -6.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -92.340924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.340924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.340924 (E_RNA)
where:
Base-Base interactions energy: -45.730
where: short stacking energy: -39.316
Base-Backbone interact. energy: -0.703
local terms energy: -45.907752
where:
bonds (distance) C4'-P energy: -12.096
bonds (distance) P-C4' energy: -8.285
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -3.689
tors. eta vs tors. theta energy: -8.958
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: 6
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -82.073101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.073101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.073101 (E_RNA)
where:
Base-Base interactions energy: -37.682
where: short stacking energy: -29.101
Base-Backbone interact. energy: -0.144
local terms energy: -44.246944
where:
bonds (distance) C4'-P energy: -10.304
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -12.128
flat angles P-C4'-P energy: -5.636
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: 10, replica: 10
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -75.611670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.611670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.611670 (E_RNA)
where:
Base-Base interactions energy: -29.960
where: short stacking energy: -29.960
Base-Backbone interact. energy: -0.105
local terms energy: -45.546867
where:
bonds (distance) C4'-P energy: -10.862
bonds (distance) P-C4' energy: -7.390
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -4.764
tors. eta vs tors. theta energy: -7.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -229.987231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.987231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.987231 (E_RNA)
where:
Base-Base interactions energy: -150.766
where: short stacking energy: -65.711
Base-Backbone interact. energy: -1.473
local terms energy: -77.748259
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -17.263
flat angles P-C4'-P energy: -8.815
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: 2, replica: 7
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -196.245841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.245841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.245841 (E_RNA)
where:
Base-Base interactions energy: -126.190
where: short stacking energy: -68.045
Base-Backbone interact. energy: -0.102
local terms energy: -69.953358
where:
bonds (distance) C4'-P energy: -12.106
bonds (distance) P-C4' energy: -13.238
flat angles C4'-P-C4' energy: -16.478
flat angles P-C4'-P energy: -8.779
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: 3, replica: 9
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -204.803929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.803929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.803929 (E_RNA)
where:
Base-Base interactions energy: -138.350
where: short stacking energy: -56.225
Base-Backbone interact. energy: -1.577
local terms energy: -64.877539
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -15.510
flat angles C4'-P-C4' energy: -10.844
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -15.221
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: 2
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -182.288626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.288626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.288626 (E_RNA)
where:
Base-Base interactions energy: -122.126
where: short stacking energy: -57.632
Base-Backbone interact. energy: 3.284
local terms energy: -63.447049
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -10.451
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -15.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -189.688756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.688756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.688756 (E_RNA)
where:
Base-Base interactions energy: -122.965
where: short stacking energy: -54.545
Base-Backbone interact. energy: -0.759
local terms energy: -65.964547
where:
bonds (distance) C4'-P energy: -10.014
bonds (distance) P-C4' energy: -15.574
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -15.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -105.312252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.312252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.312252 (E_RNA)
where:
Base-Base interactions energy: -51.011
where: short stacking energy: -48.225
Base-Backbone interact. energy: -0.140
local terms energy: -54.161926
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -9.383
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -8.047
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: 7, replica: 4
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -122.587630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.587630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.587630 (E_RNA)
where:
Base-Base interactions energy: -61.816
where: short stacking energy: -32.666
Base-Backbone interact. energy: -0.224
local terms energy: -60.548324
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -4.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -124.412635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.412635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.412635 (E_RNA)
where:
Base-Base interactions energy: -81.211
where: short stacking energy: -37.888
Base-Backbone interact. energy: -0.163
local terms energy: -43.038462
where:
bonds (distance) C4'-P energy: -10.618
bonds (distance) P-C4' energy: -12.334
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -1.990
tors. eta vs tors. theta energy: -4.833
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: 45
Temperature: 1.300000
Total energy: -80.774708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.774708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.774708 (E_RNA)
where:
Base-Base interactions energy: -26.259
where: short stacking energy: -25.948
Base-Backbone interact. energy: -0.271
local terms energy: -54.244807
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -9.522
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -4.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -82.525671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.525671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.525671 (E_RNA)
where:
Base-Base interactions energy: -27.040
where: short stacking energy: -23.090
Base-Backbone interact. energy: 0.542
local terms energy: -56.027563
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -9.571
flat angles C4'-P-C4' energy: -16.878
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -4.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -195.581839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.581839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.581839 (E_RNA)
where:
Base-Base interactions energy: -130.061
where: short stacking energy: -65.546
Base-Backbone interact. energy: 1.768
local terms energy: -67.289489
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -12.059
tors. eta vs tors. theta energy: -14.336
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: 8
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -234.478104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.478104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.478104 (E_RNA)
where:
Base-Base interactions energy: -152.183
where: short stacking energy: -77.855
Base-Backbone interact. energy: -0.003
local terms energy: -82.291855
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -17.528
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -22.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -199.778329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.778329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.778329 (E_RNA)
where:
Base-Base interactions energy: -138.988
where: short stacking energy: -59.793
Base-Backbone interact. energy: -0.223
local terms energy: -60.566857
where:
bonds (distance) C4'-P energy: -11.899
bonds (distance) P-C4' energy: -10.787
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: -13.722
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: 2
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -182.531875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.531875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.531875 (E_RNA)
where:
Base-Base interactions energy: -120.308
where: short stacking energy: -57.725
Base-Backbone interact. energy: -0.355
local terms energy: -61.868490
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -8.736
tors. eta vs tors. theta energy: -9.535
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: 1
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -196.875356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.875356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.875356 (E_RNA)
where:
Base-Base interactions energy: -123.985
where: short stacking energy: -62.820
Base-Backbone interact. energy: -0.002
local terms energy: -72.888252
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -16.962
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: 3
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -126.069491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.069491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.069491 (E_RNA)
where:
Base-Base interactions energy: -76.300
where: short stacking energy: -48.247
Base-Backbone interact. energy: -0.007
local terms energy: -49.762687
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -7.778
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: -5.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -163.819342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.819342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.819342 (E_RNA)
where:
Base-Base interactions energy: -110.995
where: short stacking energy: -53.122
Base-Backbone interact. energy: -0.018
local terms energy: -52.806199
where:
bonds (distance) C4'-P energy: -8.026
bonds (distance) P-C4' energy: -11.878
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -10.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -165.516679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.516679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.516679 (E_RNA)
where:
Base-Base interactions energy: -101.614
where: short stacking energy: -47.400
Base-Backbone interact. energy: -0.656
local terms energy: -63.245818
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -10.964
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: 10
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -82.348035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.348035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.348035 (E_RNA)
where:
Base-Base interactions energy: -32.889
where: short stacking energy: -20.901
Base-Backbone interact. energy: -0.444
local terms energy: -49.014975
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -11.154
flat angles P-C4'-P energy: -8.892
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: 5
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -87.816648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.816648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.816648 (E_RNA)
where:
Base-Base interactions energy: -39.218
where: short stacking energy: -39.179
Base-Backbone interact. energy: -0.398
local terms energy: -48.200616
where:
bonds (distance) C4'-P energy: -11.706
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -11.534
flat angles P-C4'-P energy: -4.006
tors. eta vs tors. theta energy: -2.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -211.683267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.683267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.683267 (E_RNA)
where:
Base-Base interactions energy: -133.613
where: short stacking energy: -73.466
Base-Backbone interact. energy: 1.714
local terms energy: -79.784735
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -17.615
flat angles P-C4'-P energy: -14.962
tors. eta vs tors. theta energy: -17.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -228.749625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.749625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.749625 (E_RNA)
where:
Base-Base interactions energy: -151.905
where: short stacking energy: -73.478
Base-Backbone interact. energy: -0.000
local terms energy: -76.844439
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -13.333
flat angles C4'-P-C4' energy: -12.754
flat angles P-C4'-P energy: -12.201
tors. eta vs tors. theta energy: -22.056
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: 9
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -217.865812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.865812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.865812 (E_RNA)
where:
Base-Base interactions energy: -150.194
where: short stacking energy: -57.991
Base-Backbone interact. energy: -0.589
local terms energy: -67.082633
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -5.056
tors. eta vs tors. theta energy: -18.848
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: 4, replica: 1
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -203.791508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.791508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.791508 (E_RNA)
where:
Base-Base interactions energy: -139.352
where: short stacking energy: -65.324
Base-Backbone interact. energy: -0.002
local terms energy: -64.437969
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -12.429
flat angles C4'-P-C4' energy: -11.408
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -17.262
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: 2
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -175.230173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.230173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.230173 (E_RNA)
where:
Base-Base interactions energy: -109.986
where: short stacking energy: -51.812
Base-Backbone interact. energy: -0.191
local terms energy: -65.053113
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -13.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -181.328641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.328641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.328641 (E_RNA)
where:
Base-Base interactions energy: -116.248
where: short stacking energy: -52.490
Base-Backbone interact. energy: -0.083
local terms energy: -64.997814
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -10.645
tors. eta vs tors. theta energy: -13.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -152.651550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.651550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.651550 (E_RNA)
where:
Base-Base interactions energy: -89.267
where: short stacking energy: -54.035
Base-Backbone interact. energy: -0.096
local terms energy: -63.288161
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -18.895
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -1.980
tors. eta vs tors. theta energy: -11.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -180.292973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.292973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.292973 (E_RNA)
where:
Base-Base interactions energy: -124.324
where: short stacking energy: -52.053
Base-Backbone interact. energy: -0.331
local terms energy: -55.637471
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -6.188
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -13.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -82.450713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.450713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.450713 (E_RNA)
where:
Base-Base interactions energy: -36.978
where: short stacking energy: -36.277
Base-Backbone interact. energy: -0.014
local terms energy: -45.458683
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -10.996
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -1.223
tors. eta vs tors. theta energy: -2.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -83.420288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.420288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.420288 (E_RNA)
where:
Base-Base interactions energy: -30.798
where: short stacking energy: -30.798
Base-Backbone interact. energy: -0.300
local terms energy: -52.322381
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -10.658
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -9.263
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: 1, replica: 8
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -229.590722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.590722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.590722 (E_RNA)
where:
Base-Base interactions energy: -149.516
where: short stacking energy: -79.362
Base-Backbone interact. energy: -0.001
local terms energy: -80.073095
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -9.704
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: 2, replica: 7
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -201.492566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.492566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.492566 (E_RNA)
where:
Base-Base interactions energy: -122.154
where: short stacking energy: -62.310
Base-Backbone interact. energy: -0.159
local terms energy: -79.179790
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -15.529
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -20.090
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: 9
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -219.961952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.961952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.961952 (E_RNA)
where:
Base-Base interactions energy: -148.359
where: short stacking energy: -61.158
Base-Backbone interact. energy: -1.220
local terms energy: -70.382402
where:
bonds (distance) C4'-P energy: -14.472
bonds (distance) P-C4' energy: -10.992
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -10.951
tors. eta vs tors. theta energy: -17.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -200.552325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.552325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.552325 (E_RNA)
where:
Base-Base interactions energy: -124.795
where: short stacking energy: -69.360
Base-Backbone interact. energy: -0.010
local terms energy: -75.747944
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -13.540
tors. eta vs tors. theta energy: -18.223
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: 5, replica: 6
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -189.362161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.362161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.362161 (E_RNA)
where:
Base-Base interactions energy: -130.819
where: short stacking energy: -63.895
Base-Backbone interact. energy: -0.333
local terms energy: -58.210144
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -9.865
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -6.899
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: 6, replica: 2
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -182.043906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.043906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.043906 (E_RNA)
where:
Base-Base interactions energy: -111.134
where: short stacking energy: -54.927
Base-Backbone interact. energy: -0.303
local terms energy: -70.606890
where:
bonds (distance) C4'-P energy: -15.920
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -11.078
tors. eta vs tors. theta energy: -13.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -175.497630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.497630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.497630 (E_RNA)
where:
Base-Base interactions energy: -118.757
where: short stacking energy: -46.724
Base-Backbone interact. energy: -1.154
local terms energy: -55.586479
where:
bonds (distance) C4'-P energy: -11.015
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -2.589
tors. eta vs tors. theta energy: -13.066
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: 3
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -136.600742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.600742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.600742 (E_RNA)
where:
Base-Base interactions energy: -68.747
where: short stacking energy: -40.469
Base-Backbone interact. energy: -0.047
local terms energy: -67.806707
where:
bonds (distance) C4'-P energy: -16.860
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -10.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -89.762269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.762269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.762269 (E_RNA)
where:
Base-Base interactions energy: -43.887
where: short stacking energy: -40.545
Base-Backbone interact. energy: -0.015
local terms energy: -45.860178
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -12.275
flat angles C4'-P-C4' energy: -12.479
flat angles P-C4'-P energy: -3.128
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: 10, replica: 5
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -80.825214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.825214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.825214 (E_RNA)
where:
Base-Base interactions energy: -30.428
where: short stacking energy: -30.428
Base-Backbone interact. energy: -0.189
local terms energy: -50.207405
where:
bonds (distance) C4'-P energy: -11.984
bonds (distance) P-C4' energy: -14.111
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -6.193
tors. eta vs tors. theta energy: -3.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -228.890379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.890379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.890379 (E_RNA)
where:
Base-Base interactions energy: -153.357
where: short stacking energy: -69.324
Base-Backbone interact. energy: -0.023
local terms energy: -75.510206
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -8.408
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: 2, replica: 7
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -199.398724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.398724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.398724 (E_RNA)
where:
Base-Base interactions energy: -128.136
where: short stacking energy: -65.574
Base-Backbone interact. energy: -0.002
local terms energy: -71.260493
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: -11.320
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: 9
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -204.943292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.943292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.943292 (E_RNA)
where:
Base-Base interactions energy: -138.549
where: short stacking energy: -60.719
Base-Backbone interact. energy: -0.211
local terms energy: -66.183787
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -6.682
tors. eta vs tors. theta energy: -16.858
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: 1
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -211.020802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.020802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.020802 (E_RNA)
where:
Base-Base interactions energy: -140.613
where: short stacking energy: -65.427
Base-Backbone interact. energy: -0.101
local terms energy: -70.306539
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -13.344
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -19.897
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: 6
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -174.128947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.128947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.128947 (E_RNA)
where:
Base-Base interactions energy: -118.502
where: short stacking energy: -52.617
Base-Backbone interact. energy: 0.175
local terms energy: -55.802177
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -12.250
flat angles P-C4'-P energy: -0.889
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: 6, replica: 2
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -173.832760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.832760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.832760 (E_RNA)
where:
Base-Base interactions energy: -116.240
where: short stacking energy: -59.604
Base-Backbone interact. energy: -0.029
local terms energy: -57.563906
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -11.332
flat angles C4'-P-C4' energy: -12.056
flat angles P-C4'-P energy: -6.931
tors. eta vs tors. theta energy: -15.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -186.299389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.299389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.299389 (E_RNA)
where:
Base-Base interactions energy: -124.591
where: short stacking energy: -48.918
Base-Backbone interact. energy: 5.609
local terms energy: -67.316931
where:
bonds (distance) C4'-P energy: -13.509
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -12.388
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: 8, replica: 10
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -87.200333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.200333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.200333 (E_RNA)
where:
Base-Base interactions energy: -28.717
where: short stacking energy: -26.396
Base-Backbone interact. energy: -0.112
local terms energy: -58.371584
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -7.901
tors. eta vs tors. theta energy: -3.495
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: 9, replica: 3
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -72.998144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.998144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.998144 (E_RNA)
where:
Base-Base interactions energy: -27.785
where: short stacking energy: -25.152
Base-Backbone interact. energy: 0.755
local terms energy: -45.968003
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -10.517
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -7.137
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: 5
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -82.383443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.383443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.383443 (E_RNA)
where:
Base-Base interactions energy: -34.891
where: short stacking energy: -23.970
Base-Backbone interact. energy: -0.062
local terms energy: -47.430815
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -10.878
flat angles P-C4'-P energy: -7.355
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: 8
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -237.837596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.837596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.837596 (E_RNA)
where:
Base-Base interactions energy: -153.104
where: short stacking energy: -76.454
Base-Backbone interact. energy: -0.240
local terms energy: -84.493586
where:
bonds (distance) C4'-P energy: -15.305
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -14.932
tors. eta vs tors. theta energy: -22.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -206.844009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.844009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.844009 (E_RNA)
where:
Base-Base interactions energy: -132.874
where: short stacking energy: -69.318
Base-Backbone interact. energy: -0.003
local terms energy: -73.967539
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -14.886
tors. eta vs tors. theta energy: -15.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -220.715288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.715288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.715288 (E_RNA)
where:
Base-Base interactions energy: -149.083
where: short stacking energy: -74.501
Base-Backbone interact. energy: -0.795
local terms energy: -70.837694
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -17.343
flat angles P-C4'-P energy: -7.459
tors. eta vs tors. theta energy: -17.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -194.704968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.704968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.704968 (E_RNA)
where:
Base-Base interactions energy: -122.908
where: short stacking energy: -64.527
Base-Backbone interact. energy: -0.412
local terms energy: -71.384621
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -17.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -187.167089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.167089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.167089 (E_RNA)
where:
Base-Base interactions energy: -113.765
where: short stacking energy: -45.783
Base-Backbone interact. energy: -0.576
local terms energy: -72.826107
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -13.384
tors. eta vs tors. theta energy: -14.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -142.155663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.155663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.155663 (E_RNA)
where:
Base-Base interactions energy: -79.818
where: short stacking energy: -38.562
Base-Backbone interact. energy: -0.099
local terms energy: -62.238803
where:
bonds (distance) C4'-P energy: -13.396
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -11.707
tors. eta vs tors. theta energy: -6.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -168.599156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.599156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.599156 (E_RNA)
where:
Base-Base interactions energy: -111.070
where: short stacking energy: -31.340
Base-Backbone interact. energy: -0.423
local terms energy: -57.106128
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -15.481
flat angles C4'-P-C4' energy: -9.669
flat angles P-C4'-P energy: -5.757
tors. eta vs tors. theta energy: -9.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -98.852378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.852378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.852378 (E_RNA)
where:
Base-Base interactions energy: -41.143
where: short stacking energy: -40.849
Base-Backbone interact. energy: -0.021
local terms energy: -57.688300
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -13.494
flat angles P-C4'-P energy: -9.812
tors. eta vs tors. theta energy: -5.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -79.746843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.746843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.746843 (E_RNA)
where:
Base-Base interactions energy: -29.894
where: short stacking energy: -29.589
Base-Backbone interact. energy: -0.058
local terms energy: -49.795087
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -12.107
flat angles P-C4'-P energy: -7.591
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: 10, replica: 3
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -73.880834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.880834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.880834 (E_RNA)
where:
Base-Base interactions energy: -31.765
where: short stacking energy: -21.283
Base-Backbone interact. energy: -0.389
local terms energy: -41.726700
where:
bonds (distance) C4'-P energy: -7.432
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -10.092
flat angles P-C4'-P energy: -6.409
tors. eta vs tors. theta energy: -2.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -232.699777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.699777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.699777 (E_RNA)
where:
Base-Base interactions energy: -155.041
where: short stacking energy: -78.099
Base-Backbone interact. energy: -0.449
local terms energy: -77.209820
where:
bonds (distance) C4'-P energy: -10.409
bonds (distance) P-C4' energy: -19.152
flat angles C4'-P-C4' energy: -16.459
flat angles P-C4'-P energy: -12.097
tors. eta vs tors. theta energy: -19.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -228.442001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.442001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.442001 (E_RNA)
where:
Base-Base interactions energy: -157.601
where: short stacking energy: -83.089
Base-Backbone interact. energy: 4.031
local terms energy: -74.872816
where:
bonds (distance) C4'-P energy: -15.288
bonds (distance) P-C4' energy: -12.790
flat angles C4'-P-C4' energy: -15.290
flat angles P-C4'-P energy: -10.908
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: 3, replica: 7
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -196.618690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.618690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.618690 (E_RNA)
where:
Base-Base interactions energy: -123.414
where: short stacking energy: -66.847
Base-Backbone interact. energy: -0.001
local terms energy: -73.203180
where:
bonds (distance) C4'-P energy: -16.304
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -19.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -186.980705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.980705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.980705 (E_RNA)
where:
Base-Base interactions energy: -119.593
where: short stacking energy: -55.879
Base-Backbone interact. energy: -1.848
local terms energy: -65.540566
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -17.592
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -5.857
tors. eta vs tors. theta energy: -14.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -179.965655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.965655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.965655 (E_RNA)
where:
Base-Base interactions energy: -111.804
where: short stacking energy: -56.554
Base-Backbone interact. energy: 0.052
local terms energy: -68.213836
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -13.673
tors. eta vs tors. theta energy: -12.012
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: 4
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -157.964942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.964942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.964942 (E_RNA)
where:
Base-Base interactions energy: -100.586
where: short stacking energy: -57.462
Base-Backbone interact. energy: -0.576
local terms energy: -56.802135
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -9.888
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: -12.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -149.784116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.784116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.784116 (E_RNA)
where:
Base-Base interactions energy: -91.947
where: short stacking energy: -39.580
Base-Backbone interact. energy: -0.902
local terms energy: -56.934984
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -12.565
flat angles C4'-P-C4' energy: -17.854
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -5.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -82.822997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.822997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.822997 (E_RNA)
where:
Base-Base interactions energy: -31.058
where: short stacking energy: -31.058
Base-Backbone interact. energy: -0.137
local terms energy: -51.627518
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -10.416
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: -3.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -79.239214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.239214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.239214 (E_RNA)
where:
Base-Base interactions energy: -31.849
where: short stacking energy: -28.905
Base-Backbone interact. energy: 0.637
local terms energy: -48.027519
where:
bonds (distance) C4'-P energy: -11.196
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -10.375
flat angles P-C4'-P energy: -7.273
tors. eta vs tors. theta energy: -1.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -77.034603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.034603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.034603 (E_RNA)
where:
Base-Base interactions energy: -21.704
where: short stacking energy: -21.704
Base-Backbone interact. energy: -0.172
local terms energy: -55.158118
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -10.065
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: 1, replica: 1
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -231.639468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.639468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.639468 (E_RNA)
where:
Base-Base interactions energy: -155.474
where: short stacking energy: -71.677
Base-Backbone interact. energy: -0.316
local terms energy: -75.849667
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -20.669
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: 52
Temperature: 0.950000
Total energy: -228.048292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.048292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.048292 (E_RNA)
where:
Base-Base interactions energy: -148.349
where: short stacking energy: -79.219
Base-Backbone interact. energy: -0.014
local terms energy: -79.685611
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -12.528
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: 52
Temperature: 1.000000
Total energy: -205.329049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.329049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.329049 (E_RNA)
where:
Base-Base interactions energy: -131.271
where: short stacking energy: -65.103
Base-Backbone interact. energy: -0.207
local terms energy: -73.851652
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -12.494
tors. eta vs tors. theta energy: -16.614
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: 9
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -180.342067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.342067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.342067 (E_RNA)
where:
Base-Base interactions energy: -118.616
where: short stacking energy: -58.073
Base-Backbone interact. energy: -0.046
local terms energy: -61.680055
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -8.526
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -6.152
tors. eta vs tors. theta energy: -15.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -189.712927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.712927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.712927 (E_RNA)
where:
Base-Base interactions energy: -122.325
where: short stacking energy: -62.621
Base-Backbone interact. energy: 0.123
local terms energy: -67.510953
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -15.741
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: 6, replica: 4
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -152.091524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.091524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.091524 (E_RNA)
where:
Base-Base interactions energy: -90.673
where: short stacking energy: -49.763
Base-Backbone interact. energy: 0.008
local terms energy: -61.426662
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -8.683
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: -14.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -98.425822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.425822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.425822 (E_RNA)
where:
Base-Base interactions energy: -45.054
where: short stacking energy: -33.852
Base-Backbone interact. energy: -0.760
local terms energy: -52.611632
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -15.141
flat angles P-C4'-P energy: -5.610
tors. eta vs tors. theta energy: -1.545
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: 6
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -104.782085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.782085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.782085 (E_RNA)
where:
Base-Base interactions energy: -52.712
where: short stacking energy: -33.275
Base-Backbone interact. energy: -0.047
local terms energy: -52.022619
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -10.723
flat angles P-C4'-P energy: -7.055
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: 9, replica: 3
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -87.982755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.982755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.982755 (E_RNA)
where:
Base-Base interactions energy: -36.231
where: short stacking energy: -34.170
Base-Backbone interact. energy: -0.227
local terms energy: -51.524476
where:
bonds (distance) C4'-P energy: -10.173
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -7.638
tors. eta vs tors. theta energy: -4.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -83.147056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.147056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.147056 (E_RNA)
where:
Base-Base interactions energy: -29.954
where: short stacking energy: -29.954
Base-Backbone interact. energy: -0.056
local terms energy: -53.136149
where:
bonds (distance) C4'-P energy: -16.826
bonds (distance) P-C4' energy: -14.519
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -8.206
tors. eta vs tors. theta energy: 0.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -229.720608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.720608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.720608 (E_RNA)
where:
Base-Base interactions energy: -151.000
where: short stacking energy: -72.985
Base-Backbone interact. energy: -0.126
local terms energy: -78.594424
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -9.179
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: 53
Temperature: 0.950000
Total energy: -226.039210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.039210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.039210 (E_RNA)
where:
Base-Base interactions energy: -148.344
where: short stacking energy: -70.948
Base-Backbone interact. energy: -0.038
local terms energy: -77.657440
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -17.347
flat angles P-C4'-P energy: -6.413
tors. eta vs tors. theta energy: -22.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -195.226270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.226270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.226270 (E_RNA)
where:
Base-Base interactions energy: -124.237
where: short stacking energy: -62.149
Base-Backbone interact. energy: -0.098
local terms energy: -70.891016
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -16.144
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -16.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -186.755991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.755991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.755991 (E_RNA)
where:
Base-Base interactions energy: -125.759
where: short stacking energy: -57.963
Base-Backbone interact. energy: 0.195
local terms energy: -61.192058
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -11.782
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -11.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -189.592504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.592504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.592504 (E_RNA)
where:
Base-Base interactions energy: -124.351
where: short stacking energy: -65.103
Base-Backbone interact. energy: -0.169
local terms energy: -65.072313
where:
bonds (distance) C4'-P energy: -11.149
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -16.999
flat angles P-C4'-P energy: -3.316
tors. eta vs tors. theta energy: -19.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -166.497763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.497763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.497763 (E_RNA)
where:
Base-Base interactions energy: -103.502
where: short stacking energy: -60.909
Base-Backbone interact. energy: 0.118
local terms energy: -63.113366
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -11.074
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -7.966
tors. eta vs tors. theta energy: -16.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -97.728628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.728628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.728628 (E_RNA)
where:
Base-Base interactions energy: -46.724
where: short stacking energy: -39.815
Base-Backbone interact. energy: -0.357
local terms energy: -50.647049
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -16.986
flat angles C4'-P-C4' energy: -11.260
flat angles P-C4'-P energy: -4.810
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: 8, replica: 3
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -99.716124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.716124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.716124 (E_RNA)
where:
Base-Base interactions energy: -46.072
where: short stacking energy: -46.059
Base-Backbone interact. energy: -0.005
local terms energy: -53.639445
where:
bonds (distance) C4'-P energy: -10.941
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -8.017
tors. eta vs tors. theta energy: -5.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -92.595165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.595165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.595165 (E_RNA)
where:
Base-Base interactions energy: -42.367
where: short stacking energy: -28.450
Base-Backbone interact. energy: -0.331
local terms energy: -49.897349
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -0.436
tors. eta vs tors. theta energy: -7.567
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: 10, replica: 10
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -73.625915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.625915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.625915 (E_RNA)
where:
Base-Base interactions energy: -23.319
where: short stacking energy: -23.144
Base-Backbone interact. energy: -0.165
local terms energy: -50.142136
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: 4.853
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: 8
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -227.581016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.581016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.581016 (E_RNA)
where:
Base-Base interactions energy: -148.841
where: short stacking energy: -72.323
Base-Backbone interact. energy: -0.011
local terms energy: -78.728639
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -11.028
tors. eta vs tors. theta energy: -21.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -225.940317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.940317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.940317 (E_RNA)
where:
Base-Base interactions energy: -151.110
where: short stacking energy: -68.677
Base-Backbone interact. energy: -0.630
local terms energy: -74.199799
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -17.007
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: 9
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -194.546406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.546406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.546406 (E_RNA)
where:
Base-Base interactions energy: -125.019
where: short stacking energy: -62.943
Base-Backbone interact. energy: -0.017
local terms energy: -69.510553
where:
bonds (distance) C4'-P energy: -9.292
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -17.810
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -16.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -190.655743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.655743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.655743 (E_RNA)
where:
Base-Base interactions energy: -122.125
where: short stacking energy: -63.352
Base-Backbone interact. energy: -0.468
local terms energy: -68.063432
where:
bonds (distance) C4'-P energy: -9.998
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -8.071
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: 5, replica: 2
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -191.623343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.623343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.623343 (E_RNA)
where:
Base-Base interactions energy: -119.682
where: short stacking energy: -57.380
Base-Backbone interact. energy: -0.004
local terms energy: -71.937869
where:
bonds (distance) C4'-P energy: -16.149
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -7.873
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: 6, replica: 4
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -154.492239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.492239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.492239 (E_RNA)
where:
Base-Base interactions energy: -94.097
where: short stacking energy: -51.645
Base-Backbone interact. energy: -0.179
local terms energy: -60.216341
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -14.557
flat angles P-C4'-P energy: -6.219
tors. eta vs tors. theta energy: -7.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -97.534138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.534138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.534138 (E_RNA)
where:
Base-Base interactions energy: -45.311
where: short stacking energy: -26.338
Base-Backbone interact. energy: -0.192
local terms energy: -52.031057
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -10.839
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: -2.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -88.110743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.110743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.110743 (E_RNA)
where:
Base-Base interactions energy: -42.869
where: short stacking energy: -38.422
Base-Backbone interact. energy: -0.302
local terms energy: -44.939749
where:
bonds (distance) C4'-P energy: -4.747
bonds (distance) P-C4' energy: -13.230
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -9.335
tors. eta vs tors. theta energy: -3.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -80.165762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.165762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.165762 (E_RNA)
where:
Base-Base interactions energy: -26.265
where: short stacking energy: -26.265
Base-Backbone interact. energy: -0.223
local terms energy: -53.677100
where:
bonds (distance) C4'-P energy: -14.551
bonds (distance) P-C4' energy: -11.026
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -12.129
tors. eta vs tors. theta energy: -1.044
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: 6
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -80.766409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.766409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.766409 (E_RNA)
where:
Base-Base interactions energy: -31.249
where: short stacking energy: -31.249
Base-Backbone interact. energy: -0.222
local terms energy: -49.295268
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -14.873
flat angles C4'-P-C4' energy: -9.365
flat angles P-C4'-P energy: -4.735
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: 55
Temperature: 0.900000
Total energy: -225.624696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.624696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.624696 (E_RNA)
where:
Base-Base interactions energy: -151.070
where: short stacking energy: -77.373
Base-Backbone interact. energy: -0.124
local terms energy: -74.430919
where:
bonds (distance) C4'-P energy: -11.893
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -21.453
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: 1
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -223.686582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.686582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.686582 (E_RNA)
where:
Base-Base interactions energy: -149.499
where: short stacking energy: -66.396
Base-Backbone interact. energy: -0.081
local terms energy: -74.106530
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -16.787
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -19.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -192.036334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.036334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.036334 (E_RNA)
where:
Base-Base interactions energy: -122.330
where: short stacking energy: -63.497
Base-Backbone interact. energy: -0.511
local terms energy: -69.195412
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -14.517
flat angles C4'-P-C4' energy: -16.394
flat angles P-C4'-P energy: -5.970
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: 4, replica: 2
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -187.533756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.533756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.533756 (E_RNA)
where:
Base-Base interactions energy: -123.027
where: short stacking energy: -63.547
Base-Backbone interact. energy: -0.636
local terms energy: -63.870397
where:
bonds (distance) C4'-P energy: -14.035
bonds (distance) P-C4' energy: -12.442
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -15.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -183.433785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.433785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.433785 (E_RNA)
where:
Base-Base interactions energy: -115.766
where: short stacking energy: -57.637
Base-Backbone interact. energy: -0.016
local terms energy: -67.651905
where:
bonds (distance) C4'-P energy: -10.309
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -7.394
tors. eta vs tors. theta energy: -17.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -163.563517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.563517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.563517 (E_RNA)
where:
Base-Base interactions energy: -94.597
where: short stacking energy: -57.165
Base-Backbone interact. energy: -0.097
local terms energy: -68.869646
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -14.489
flat angles C4'-P-C4' energy: -12.125
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -16.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -95.002478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.002478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.002478 (E_RNA)
where:
Base-Base interactions energy: -35.655
where: short stacking energy: -35.655
Base-Backbone interact. energy: -0.097
local terms energy: -59.250124
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -15.485
flat angles C4'-P-C4' energy: -13.301
flat angles P-C4'-P energy: -4.541
tors. eta vs tors. theta energy: -11.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -84.689057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.689057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.689057 (E_RNA)
where:
Base-Base interactions energy: -33.745
where: short stacking energy: -30.777
Base-Backbone interact. energy: 0.038
local terms energy: -50.982283
where:
bonds (distance) C4'-P energy: -10.624
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -6.793
tors. eta vs tors. theta energy: -1.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -86.108571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.108571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.108571 (E_RNA)
where:
Base-Base interactions energy: -33.621
where: short stacking energy: -31.239
Base-Backbone interact. energy: -0.029
local terms energy: -52.459191
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -10.259
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: -4.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -80.251902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.251902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.251902 (E_RNA)
where:
Base-Base interactions energy: -30.615
where: short stacking energy: -23.094
Base-Backbone interact. energy: -0.719
local terms energy: -48.917410
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -8.496
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -6.836
tors. eta vs tors. theta energy: -6.863
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: 56
Temperature: 0.900000
Total energy: -223.772473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.772473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.772473 (E_RNA)
where:
Base-Base interactions energy: -149.414
where: short stacking energy: -70.986
Base-Backbone interact. energy: -0.074
local terms energy: -74.284754
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -7.929
tors. eta vs tors. theta energy: -18.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -220.283173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.283173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.283173 (E_RNA)
where:
Base-Base interactions energy: -142.870
where: short stacking energy: -70.082
Base-Backbone interact. energy: -0.000
local terms energy: -77.413372
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -12.297
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: 3, replica: 9
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -195.669279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.669279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.669279 (E_RNA)
where:
Base-Base interactions energy: -130.937
where: short stacking energy: -58.668
Base-Backbone interact. energy: 0.139
local terms energy: -64.871358
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -14.249
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -14.333
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: 2
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -188.271130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.271130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.271130 (E_RNA)
where:
Base-Base interactions energy: -121.643
where: short stacking energy: -61.497
Base-Backbone interact. energy: -0.023
local terms energy: -66.605697
where:
bonds (distance) C4'-P energy: -10.791
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: -16.746
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: 5, replica: 7
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -186.156731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.156731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.156731 (E_RNA)
where:
Base-Base interactions energy: -116.686
where: short stacking energy: -53.980
Base-Backbone interact. energy: -0.213
local terms energy: -69.256863
where:
bonds (distance) C4'-P energy: -14.241
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -8.629
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: 4
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -159.913745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.913745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.913745 (E_RNA)
where:
Base-Base interactions energy: -96.648
where: short stacking energy: -50.930
Base-Backbone interact. energy: 0.047
local terms energy: -63.312123
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -11.908
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -8.673
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: 7, replica: 3
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -97.963235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.963235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.963235 (E_RNA)
where:
Base-Base interactions energy: -42.825
where: short stacking energy: -29.898
Base-Backbone interact. energy: -0.126
local terms energy: -55.012719
where:
bonds (distance) C4'-P energy: -9.131
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -12.136
tors. eta vs tors. theta energy: -4.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -91.783946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.783946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.783946 (E_RNA)
where:
Base-Base interactions energy: -35.902
where: short stacking energy: -35.902
Base-Backbone interact. energy: -0.101
local terms energy: -55.781288
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -11.586
flat angles C4'-P-C4' energy: -11.416
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -9.198
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: 6
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -86.836505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.836505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.836505 (E_RNA)
where:
Base-Base interactions energy: -42.651
where: short stacking energy: -36.070
Base-Backbone interact. energy: 0.120
local terms energy: -44.305610
where:
bonds (distance) C4'-P energy: -9.392
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -8.803
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: -2.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -80.055306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.055306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.055306 (E_RNA)
where:
Base-Base interactions energy: -34.786
where: short stacking energy: -29.541
Base-Backbone interact. energy: -0.196
local terms energy: -45.073252
where:
bonds (distance) C4'-P energy: -8.270
bonds (distance) P-C4' energy: -12.421
flat angles C4'-P-C4' energy: -8.684
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: -7.586
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: 8
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -228.962423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.962423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.962423 (E_RNA)
where:
Base-Base interactions energy: -156.051
where: short stacking energy: -72.393
Base-Backbone interact. energy: -1.136
local terms energy: -71.775399
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -15.746
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: -16.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -211.561050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.561050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.561050 (E_RNA)
where:
Base-Base interactions energy: -139.302
where: short stacking energy: -50.969
Base-Backbone interact. energy: -0.517
local terms energy: -71.742480
where:
bonds (distance) C4'-P energy: -16.884
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -12.707
tors. eta vs tors. theta energy: -12.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -201.866768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.866768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.866768 (E_RNA)
where:
Base-Base interactions energy: -131.115
where: short stacking energy: -69.211
Base-Backbone interact. energy: -0.000
local terms energy: -70.752167
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -17.695
flat angles C4'-P-C4' energy: -12.366
flat angles P-C4'-P energy: -7.856
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: 4, replica: 7
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -198.667953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.667953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.667953 (E_RNA)
where:
Base-Base interactions energy: -128.686
where: short stacking energy: -75.733
Base-Backbone interact. energy: -0.104
local terms energy: -69.878025
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -11.433
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -10.805
tors. eta vs tors. theta energy: -20.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -188.102501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.102501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.102501 (E_RNA)
where:
Base-Base interactions energy: -121.105
where: short stacking energy: -58.163
Base-Backbone interact. energy: -0.046
local terms energy: -66.952130
where:
bonds (distance) C4'-P energy: -8.910
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -13.335
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -17.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -152.092454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.092454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.092454 (E_RNA)
where:
Base-Base interactions energy: -100.583
where: short stacking energy: -48.888
Base-Backbone interact. energy: -0.034
local terms energy: -51.475240
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -12.906
flat angles C4'-P-C4' energy: -6.821
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -9.897
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: 57
Temperature: 1.200000
Total energy: -89.240871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.240871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.240871 (E_RNA)
where:
Base-Base interactions energy: -34.639
where: short stacking energy: -25.551
Base-Backbone interact. energy: 0.191
local terms energy: -54.792947
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -12.990
flat angles P-C4'-P energy: -8.727
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: 8, replica: 6
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -104.061070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.061070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.061070 (E_RNA)
where:
Base-Base interactions energy: -51.569
where: short stacking energy: -38.102
Base-Backbone interact. energy: -0.094
local terms energy: -52.397721
where:
bonds (distance) C4'-P energy: -5.157
bonds (distance) P-C4' energy: -17.702
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -7.062
tors. eta vs tors. theta energy: -7.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -83.223521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.223521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.223521 (E_RNA)
where:
Base-Base interactions energy: -34.474
where: short stacking energy: -34.126
Base-Backbone interact. energy: -0.023
local terms energy: -48.727243
where:
bonds (distance) C4'-P energy: -10.891
bonds (distance) P-C4' energy: -11.775
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -4.847
tors. eta vs tors. theta energy: -7.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -81.609933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.609933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.609933 (E_RNA)
where:
Base-Base interactions energy: -33.904
where: short stacking energy: -32.602
Base-Backbone interact. energy: -0.266
local terms energy: -47.439776
where:
bonds (distance) C4'-P energy: -9.519
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -7.152
tors. eta vs tors. theta energy: -3.482
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: 8
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -230.330222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.330222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.330222 (E_RNA)
where:
Base-Base interactions energy: -150.574
where: short stacking energy: -67.400
Base-Backbone interact. energy: -0.123
local terms energy: -79.632972
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -17.989
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -19.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -230.642900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.642900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.642900 (E_RNA)
where:
Base-Base interactions energy: -152.936
where: short stacking energy: -71.326
Base-Backbone interact. energy: -0.005
local terms energy: -77.701626
where:
bonds (distance) C4'-P energy: -11.940
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -12.847
tors. eta vs tors. theta energy: -21.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -202.805676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.805676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.805676 (E_RNA)
where:
Base-Base interactions energy: -126.468
where: short stacking energy: -68.569
Base-Backbone interact. energy: -0.001
local terms energy: -76.336925
where:
bonds (distance) C4'-P energy: -11.242
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -20.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -195.026040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.026040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.026040 (E_RNA)
where:
Base-Base interactions energy: -124.499
where: short stacking energy: -58.957
Base-Backbone interact. energy: -0.013
local terms energy: -70.513982
where:
bonds (distance) C4'-P energy: -10.049
bonds (distance) P-C4' energy: -18.704
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -9.549
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: 5, replica: 2
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -181.748196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.748196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.748196 (E_RNA)
where:
Base-Base interactions energy: -115.468
where: short stacking energy: -56.265
Base-Backbone interact. energy: -0.066
local terms energy: -66.213682
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -14.517
flat angles C4'-P-C4' energy: -13.140
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -13.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -183.102416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.102416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.102416 (E_RNA)
where:
Base-Base interactions energy: -134.063
where: short stacking energy: -57.179
Base-Backbone interact. energy: 0.643
local terms energy: -49.681921
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -8.865
flat angles P-C4'-P energy: 0.375
tors. eta vs tors. theta energy: -14.051
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: 6
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -103.390296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.390296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.390296 (E_RNA)
where:
Base-Base interactions energy: -48.745
where: short stacking energy: -35.226
Base-Backbone interact. energy: -0.005
local terms energy: -54.640250
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -10.785
flat angles C4'-P-C4' energy: -12.473
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: -6.343
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: 8, replica: 3
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -111.607696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.607696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.607696 (E_RNA)
where:
Base-Base interactions energy: -61.908
where: short stacking energy: -40.430
Base-Backbone interact. energy: -0.236
local terms energy: -49.463375
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -10.129
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -2.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -83.178184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.178184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.178184 (E_RNA)
where:
Base-Base interactions energy: -30.961
where: short stacking energy: -30.961
Base-Backbone interact. energy: -0.137
local terms energy: -52.079686
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -5.939
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: 10
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -91.054378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.054378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.054378 (E_RNA)
where:
Base-Base interactions energy: -43.126
where: short stacking energy: -18.587
Base-Backbone interact. energy: -0.431
local terms energy: -47.497922
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -13.340
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -2.504
tors. eta vs tors. theta energy: -1.360
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: 8
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -230.117105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.117105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.117105 (E_RNA)
where:
Base-Base interactions energy: -150.857
where: short stacking energy: -76.414
Base-Backbone interact. energy: -0.006
local terms energy: -79.254436
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -18.083
flat angles P-C4'-P energy: -10.302
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: 2, replica: 1
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -233.006371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.006371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.006371 (E_RNA)
where:
Base-Base interactions energy: -157.390
where: short stacking energy: -74.431
Base-Backbone interact. energy: -0.002
local terms energy: -75.614051
where:
bonds (distance) C4'-P energy: -11.077
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -10.514
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: 3, replica: 7
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -200.964557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.964557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.964557 (E_RNA)
where:
Base-Base interactions energy: -124.663
where: short stacking energy: -53.988
Base-Backbone interact. energy: -0.143
local terms energy: -76.159039
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -12.771
tors. eta vs tors. theta energy: -15.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -190.581302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.581302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.581302 (E_RNA)
where:
Base-Base interactions energy: -130.071
where: short stacking energy: -59.187
Base-Backbone interact. energy: -0.802
local terms energy: -59.708389
where:
bonds (distance) C4'-P energy: -9.822
bonds (distance) P-C4' energy: -13.769
flat angles C4'-P-C4' energy: -8.653
flat angles P-C4'-P energy: -9.617
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: 5, replica: 9
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -193.026254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.026254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.026254 (E_RNA)
where:
Base-Base interactions energy: -128.311
where: short stacking energy: -55.859
Base-Backbone interact. energy: -0.512
local terms energy: -64.203167
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -14.211
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -15.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -183.653026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.653026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.653026 (E_RNA)
where:
Base-Base interactions energy: -114.970
where: short stacking energy: -45.468
Base-Backbone interact. energy: -0.553
local terms energy: -68.129761
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -11.361
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -16.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -96.963626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.963626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.963626 (E_RNA)
where:
Base-Base interactions energy: -43.792
where: short stacking energy: -28.842
Base-Backbone interact. energy: -0.319
local terms energy: -52.852747
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -13.593
flat angles C4'-P-C4' energy: -15.795
flat angles P-C4'-P energy: -4.350
tors. eta vs tors. theta energy: -6.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -91.034455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.034455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.034455 (E_RNA)
where:
Base-Base interactions energy: -30.797
where: short stacking energy: -30.797
Base-Backbone interact. energy: -0.245
local terms energy: -59.991642
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -15.496
flat angles C4'-P-C4' energy: -12.741
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -8.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -71.545546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.545546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.545546 (E_RNA)
where:
Base-Base interactions energy: -22.736
where: short stacking energy: -21.455
Base-Backbone interact. energy: -0.390
local terms energy: -48.419297
where:
bonds (distance) C4'-P energy: -8.769
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -11.407
flat angles P-C4'-P energy: -13.550
tors. eta vs tors. theta energy: -2.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -84.599759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.599759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.599759 (E_RNA)
where:
Base-Base interactions energy: -29.651
where: short stacking energy: -25.993
Base-Backbone interact. energy: -0.211
local terms energy: -54.737312
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -17.313
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -8.135
tors. eta vs tors. theta energy: -0.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -228.466286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.466286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.466286 (E_RNA)
where:
Base-Base interactions energy: -157.986
where: short stacking energy: -74.875
Base-Backbone interact. energy: -0.001
local terms energy: -70.478925
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -9.843
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -22.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -227.033564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.033564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.033564 (E_RNA)
where:
Base-Base interactions energy: -152.645
where: short stacking energy: -77.329
Base-Backbone interact. energy: -0.004
local terms energy: -74.383705
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -6.735
tors. eta vs tors. theta energy: -23.637
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: 2
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -193.956082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.956082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.956082 (E_RNA)
where:
Base-Base interactions energy: -127.423
where: short stacking energy: -64.652
Base-Backbone interact. energy: 0.234
local terms energy: -66.766451
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -6.722
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: 4, replica: 7
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -190.685209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.685209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.685209 (E_RNA)
where:
Base-Base interactions energy: -124.197
where: short stacking energy: -55.708
Base-Backbone interact. energy: -0.069
local terms energy: -66.419102
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -5.024
tors. eta vs tors. theta energy: -17.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -196.351225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.351225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.351225 (E_RNA)
where:
Base-Base interactions energy: -130.729
where: short stacking energy: -59.515
Base-Backbone interact. energy: -0.651
local terms energy: -64.971151
where:
bonds (distance) C4'-P energy: -14.105
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -4.350
tors. eta vs tors. theta energy: -16.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -135.687048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.687048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.687048 (E_RNA)
where:
Base-Base interactions energy: -77.954
where: short stacking energy: -50.586
Base-Backbone interact. energy: 0.181
local terms energy: -57.914444
where:
bonds (distance) C4'-P energy: -11.320
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -12.115
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: 7, replica: 5
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -95.732232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.732232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.732232 (E_RNA)
where:
Base-Base interactions energy: -49.013
where: short stacking energy: -30.495
Base-Backbone interact. energy: -0.190
local terms energy: -46.529114
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -10.309
flat angles P-C4'-P energy: -10.395
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: 8, replica: 6
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -118.454844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.454844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.454844 (E_RNA)
where:
Base-Base interactions energy: -63.184
where: short stacking energy: -30.691
Base-Backbone interact. energy: 0.282
local terms energy: -55.552282
where:
bonds (distance) C4'-P energy: -17.129
bonds (distance) P-C4' energy: -11.585
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -6.204
tors. eta vs tors. theta energy: -6.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -81.106853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.106853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.106853 (E_RNA)
where:
Base-Base interactions energy: -33.807
where: short stacking energy: -24.174
Base-Backbone interact. energy: 0.087
local terms energy: -47.386874
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -10.289
flat angles P-C4'-P energy: -8.032
tors. eta vs tors. theta energy: 0.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -79.010173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.010173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.010173 (E_RNA)
where:
Base-Base interactions energy: -30.058
where: short stacking energy: -29.206
Base-Backbone interact. energy: -0.394
local terms energy: -48.558051
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -12.278
flat angles C4'-P-C4' energy: -7.194
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -5.035
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: 1, replica: 8
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -234.389333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.389333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.389333 (E_RNA)
where:
Base-Base interactions energy: -159.238
where: short stacking energy: -78.343
Base-Backbone interact. energy: -0.001
local terms energy: -75.150055
where:
bonds (distance) C4'-P energy: -9.507
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -12.205
tors. eta vs tors. theta energy: -23.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -232.530390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.530390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.530390 (E_RNA)
where:
Base-Base interactions energy: -151.397
where: short stacking energy: -76.435
Base-Backbone interact. energy: -0.009
local terms energy: -81.124093
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -12.460
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: 3, replica: 2
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -198.901529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.901529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.901529 (E_RNA)
where:
Base-Base interactions energy: -126.996
where: short stacking energy: -61.912
Base-Backbone interact. energy: -0.002
local terms energy: -71.903509
where:
bonds (distance) C4'-P energy: -18.590
bonds (distance) P-C4' energy: -12.632
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -14.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -196.735112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.735112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.735112 (E_RNA)
where:
Base-Base interactions energy: -126.018
where: short stacking energy: -57.358
Base-Backbone interact. energy: -0.033
local terms energy: -70.683863
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -14.474
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -18.033
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: 5, replica: 9
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -178.074283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.074283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.074283 (E_RNA)
where:
Base-Base interactions energy: -122.803
where: short stacking energy: -49.437
Base-Backbone interact. energy: -0.211
local terms energy: -55.059711
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -10.903
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -5.257
tors. eta vs tors. theta energy: -11.955
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: 4
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -151.408273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.408273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.408273 (E_RNA)
where:
Base-Base interactions energy: -80.420
where: short stacking energy: -48.138
Base-Backbone interact. energy: -0.071
local terms energy: -70.917501
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -8.117
tors. eta vs tors. theta energy: -16.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -100.600940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.600940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.600940 (E_RNA)
where:
Base-Base interactions energy: -45.163
where: short stacking energy: -33.319
Base-Backbone interact. energy: -0.394
local terms energy: -55.044100
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -11.560
flat angles P-C4'-P energy: -7.445
tors. eta vs tors. theta energy: -3.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -105.689670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.689670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.689670 (E_RNA)
where:
Base-Base interactions energy: -56.469
where: short stacking energy: -37.587
Base-Backbone interact. energy: 0.383
local terms energy: -49.604627
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -12.686
flat angles C4'-P-C4' energy: -11.153
flat angles P-C4'-P energy: -5.118
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: 9, replica: 6
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -85.643858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.643858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.643858 (E_RNA)
where:
Base-Base interactions energy: -30.763
where: short stacking energy: -22.919
Base-Backbone interact. energy: -0.476
local terms energy: -54.404423
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -11.008
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: -4.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -73.989283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.989283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.989283 (E_RNA)
where:
Base-Base interactions energy: -26.490
where: short stacking energy: -19.534
Base-Backbone interact. energy: -0.141
local terms energy: -47.358016
where:
bonds (distance) C4'-P energy: -10.845
bonds (distance) P-C4' energy: -17.638
flat angles C4'-P-C4' energy: -9.493
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: -0.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -237.372321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.372321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.372321 (E_RNA)
where:
Base-Base interactions energy: -154.453
where: short stacking energy: -80.004
Base-Backbone interact. energy: 0.217
local terms energy: -83.135538
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -17.626
flat angles C4'-P-C4' energy: -19.388
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -19.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -227.554438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.554438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.554438 (E_RNA)
where:
Base-Base interactions energy: -147.537
where: short stacking energy: -73.709
Base-Backbone interact. energy: -0.314
local terms energy: -79.703471
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -12.481
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: 3, replica: 7
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -204.528953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.528953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.528953 (E_RNA)
where:
Base-Base interactions energy: -139.483
where: short stacking energy: -68.191
Base-Backbone interact. energy: -0.030
local terms energy: -65.015697
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -9.316
flat angles C4'-P-C4' energy: -12.729
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -19.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -192.483513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.483513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.483513 (E_RNA)
where:
Base-Base interactions energy: -123.917
where: short stacking energy: -56.480
Base-Backbone interact. energy: -0.434
local terms energy: -68.132350
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -14.065
flat angles P-C4'-P energy: -4.230
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: 5, replica: 4
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -159.341256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.341256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.341256 (E_RNA)
where:
Base-Base interactions energy: -93.954
where: short stacking energy: -45.830
Base-Backbone interact. energy: -0.047
local terms energy: -65.339732
where:
bonds (distance) C4'-P energy: -11.785
bonds (distance) P-C4' energy: -12.272
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: -15.188
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: 9
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -175.042768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.042768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.042768 (E_RNA)
where:
Base-Base interactions energy: -110.140
where: short stacking energy: -54.393
Base-Backbone interact. energy: -0.059
local terms energy: -64.843542
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -13.560
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -10.129
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: 7, replica: 10
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -104.184017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.184017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.184017 (E_RNA)
where:
Base-Base interactions energy: -43.626
where: short stacking energy: -30.965
Base-Backbone interact. energy: -0.508
local terms energy: -60.049547
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -2.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -97.942560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.942560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.942560 (E_RNA)
where:
Base-Base interactions energy: -52.273
where: short stacking energy: -32.359
Base-Backbone interact. energy: -0.104
local terms energy: -45.565662
where:
bonds (distance) C4'-P energy: -10.632
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -11.797
flat angles P-C4'-P energy: -6.345
tors. eta vs tors. theta energy: -1.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -81.655651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.655651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.655651 (E_RNA)
where:
Base-Base interactions energy: -32.074
where: short stacking energy: -24.277
Base-Backbone interact. energy: -0.851
local terms energy: -48.731481
where:
bonds (distance) C4'-P energy: -5.850
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -2.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -83.094272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.094272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.094272 (E_RNA)
where:
Base-Base interactions energy: -29.600
where: short stacking energy: -24.318
Base-Backbone interact. energy: -0.147
local terms energy: -53.347178
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -11.210
flat angles P-C4'-P energy: -6.131
tors. eta vs tors. theta energy: -3.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -234.954949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.954949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.954949 (E_RNA)
where:
Base-Base interactions energy: -153.862
where: short stacking energy: -78.448
Base-Backbone interact. energy: -0.198
local terms energy: -80.894568
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -19.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -216.715823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.715823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.715823 (E_RNA)
where:
Base-Base interactions energy: -148.021
where: short stacking energy: -63.312
Base-Backbone interact. energy: -1.073
local terms energy: -67.621605
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -10.149
tors. eta vs tors. theta energy: -13.786
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: 8
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -224.290918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.290918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.290918 (E_RNA)
where:
Base-Base interactions energy: -149.613
where: short stacking energy: -76.305
Base-Backbone interact. energy: -0.286
local terms energy: -74.391303
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -17.088
flat angles P-C4'-P energy: -8.711
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: 4, replica: 2
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -198.144574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.144574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.144574 (E_RNA)
where:
Base-Base interactions energy: -128.329
where: short stacking energy: -62.008
Base-Backbone interact. energy: -0.010
local terms energy: -69.805284
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -15.433
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -11.358
tors. eta vs tors. theta energy: -13.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -168.891467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.891467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.891467 (E_RNA)
where:
Base-Base interactions energy: -104.635
where: short stacking energy: -49.123
Base-Backbone interact. energy: -0.699
local terms energy: -63.556633
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -8.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -180.247951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.247951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.247951 (E_RNA)
where:
Base-Base interactions energy: -115.624
where: short stacking energy: -52.051
Base-Backbone interact. energy: 0.223
local terms energy: -64.847393
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -4.161
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: 7, replica: 10
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -125.215705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.215705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.215705 (E_RNA)
where:
Base-Base interactions energy: -76.008
where: short stacking energy: -31.905
Base-Backbone interact. energy: -0.133
local terms energy: -49.074702
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -7.680
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -4.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -90.693229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.693229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.693229 (E_RNA)
where:
Base-Base interactions energy: -40.462
where: short stacking energy: -40.462
Base-Backbone interact. energy: -0.086
local terms energy: -50.144911
where:
bonds (distance) C4'-P energy: -10.164
bonds (distance) P-C4' energy: -16.063
flat angles C4'-P-C4' energy: -6.875
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: -9.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -81.976148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.976148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.976148 (E_RNA)
where:
Base-Base interactions energy: -32.091
where: short stacking energy: -24.467
Base-Backbone interact. energy: 1.700
local terms energy: -51.585221
where:
bonds (distance) C4'-P energy: -10.592
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -17.444
flat angles P-C4'-P energy: -6.946
tors. eta vs tors. theta energy: -1.754
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: 6
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -85.455100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.455100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.455100 (E_RNA)
where:
Base-Base interactions energy: -39.606
where: short stacking energy: -30.077
Base-Backbone interact. energy: 1.489
local terms energy: -47.338312
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -14.091
flat angles C4'-P-C4' energy: -7.180
flat angles P-C4'-P energy: -7.358
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: 1, replica: 7
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -215.925670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.925670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.925670 (E_RNA)
where:
Base-Base interactions energy: -143.854
where: short stacking energy: -72.364
Base-Backbone interact. energy: -0.031
local terms energy: -72.039925
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -14.781
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -11.530
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: 2, replica: 1
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -230.208261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.208261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.208261 (E_RNA)
where:
Base-Base interactions energy: -154.752
where: short stacking energy: -70.778
Base-Backbone interact. energy: -0.576
local terms energy: -74.880917
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -6.826
tors. eta vs tors. theta energy: -22.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -201.709111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.709111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.709111 (E_RNA)
where:
Base-Base interactions energy: -129.695
where: short stacking energy: -55.612
Base-Backbone interact. energy: 1.528
local terms energy: -73.541964
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -14.964
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: 64
Temperature: 1.050000
Total energy: -219.176657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.176657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.176657 (E_RNA)
where:
Base-Base interactions energy: -142.082
where: short stacking energy: -70.484
Base-Backbone interact. energy: -0.054
local terms energy: -77.040835
where:
bonds (distance) C4'-P energy: -8.831
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -17.688
flat angles P-C4'-P energy: -13.858
tors. eta vs tors. theta energy: -20.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -156.826562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.826562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.826562 (E_RNA)
where:
Base-Base interactions energy: -90.663
where: short stacking energy: -44.262
Base-Backbone interact. energy: -0.035
local terms energy: -66.128411
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -10.837
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: 9
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -173.415935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.415935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.415935 (E_RNA)
where:
Base-Base interactions energy: -114.181
where: short stacking energy: -56.120
Base-Backbone interact. energy: 0.850
local terms energy: -60.084853
where:
bonds (distance) C4'-P energy: -13.910
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -9.561
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -11.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -111.378155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.378155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.378155 (E_RNA)
where:
Base-Base interactions energy: -54.773
where: short stacking energy: -37.916
Base-Backbone interact. energy: -0.014
local terms energy: -56.591179
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -8.210
tors. eta vs tors. theta energy: -4.942
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: 3
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -87.202864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.202864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.202864 (E_RNA)
where:
Base-Base interactions energy: -37.249
where: short stacking energy: -32.902
Base-Backbone interact. energy: -0.070
local terms energy: -49.884356
where:
bonds (distance) C4'-P energy: -9.130
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -11.696
flat angles P-C4'-P energy: -11.952
tors. eta vs tors. theta energy: -3.704
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: 9, replica: 6
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -84.866029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.866029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.866029 (E_RNA)
where:
Base-Base interactions energy: -34.291
where: short stacking energy: -27.921
Base-Backbone interact. energy: -0.087
local terms energy: -50.488144
where:
bonds (distance) C4'-P energy: -8.990
bonds (distance) P-C4' energy: -14.943
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -2.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -80.052213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.052213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.052213 (E_RNA)
where:
Base-Base interactions energy: -29.759
where: short stacking energy: -29.412
Base-Backbone interact. energy: -0.132
local terms energy: -50.161528
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -10.392
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -1.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -210.781652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.781652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.781652 (E_RNA)
where:
Base-Base interactions energy: -131.954
where: short stacking energy: -69.831
Base-Backbone interact. energy: -0.001
local terms energy: -78.825944
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -13.731
tors. eta vs tors. theta energy: -17.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -202.318660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.318660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.318660 (E_RNA)
where:
Base-Base interactions energy: -128.702
where: short stacking energy: -68.295
Base-Backbone interact. energy: 0.355
local terms energy: -73.971917
where:
bonds (distance) C4'-P energy: -10.386
bonds (distance) P-C4' energy: -16.486
flat angles C4'-P-C4' energy: -14.869
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -21.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -220.907820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.907820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.907820 (E_RNA)
where:
Base-Base interactions energy: -152.549
where: short stacking energy: -74.391
Base-Backbone interact. energy: -0.221
local terms energy: -68.138579
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -11.231
flat angles P-C4'-P energy: -5.752
tors. eta vs tors. theta energy: -21.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -220.394146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.394146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.394146 (E_RNA)
where:
Base-Base interactions energy: -148.179
where: short stacking energy: -68.462
Base-Backbone interact. energy: -0.294
local terms energy: -71.920381
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -12.972
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -6.682
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: 5, replica: 4
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -140.490392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.490392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.490392 (E_RNA)
where:
Base-Base interactions energy: -82.036
where: short stacking energy: -45.841
Base-Backbone interact. energy: -0.122
local terms energy: -58.332099
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -7.866
tors. eta vs tors. theta energy: -5.106
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: 65
Temperature: 1.150000
Total energy: -176.313293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.313293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.313293 (E_RNA)
where:
Base-Base interactions energy: -106.795
where: short stacking energy: -53.889
Base-Backbone interact. energy: -0.020
local terms energy: -69.499109
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -13.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -98.262787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.262787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.262787 (E_RNA)
where:
Base-Base interactions energy: -33.943
where: short stacking energy: -33.360
Base-Backbone interact. energy: -0.081
local terms energy: -64.238060
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -13.080
flat angles C4'-P-C4' energy: -15.737
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -11.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -97.696432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.696432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.696432 (E_RNA)
where:
Base-Base interactions energy: -41.658
where: short stacking energy: -27.447
Base-Backbone interact. energy: 0.317
local terms energy: -56.355035
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -18.123
flat angles C4'-P-C4' energy: -9.952
flat angles P-C4'-P energy: -7.581
tors. eta vs tors. theta energy: -7.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -88.923330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.923330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.923330 (E_RNA)
where:
Base-Base interactions energy: -33.072
where: short stacking energy: -27.246
Base-Backbone interact. energy: -0.008
local terms energy: -55.843234
where:
bonds (distance) C4'-P energy: -14.390
bonds (distance) P-C4' energy: -11.558
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -9.217
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: 10, replica: 5
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -84.089828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.089828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.089828 (E_RNA)
where:
Base-Base interactions energy: -35.937
where: short stacking energy: -24.630
Base-Backbone interact. energy: -0.381
local terms energy: -47.772607
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -5.544
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: -6.223
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: 2
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -207.361585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.361585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.361585 (E_RNA)
where:
Base-Base interactions energy: -129.613
where: short stacking energy: -68.214
Base-Backbone interact. energy: -0.468
local terms energy: -77.281188
where:
bonds (distance) C4'-P energy: -12.421
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -12.753
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: 2, replica: 7
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -196.930349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.930349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.930349 (E_RNA)
where:
Base-Base interactions energy: -122.942
where: short stacking energy: -55.353
Base-Backbone interact. energy: -0.003
local terms energy: -73.985576
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: -15.162
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: 66
Temperature: 1.000000
Total energy: -224.386675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.386675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.386675 (E_RNA)
where:
Base-Base interactions energy: -156.569
where: short stacking energy: -75.678
Base-Backbone interact. energy: -0.564
local terms energy: -67.254298
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -3.766
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: 4, replica: 1
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -216.541815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.541815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.541815 (E_RNA)
where:
Base-Base interactions energy: -135.852
where: short stacking energy: -65.284
Base-Backbone interact. energy: -0.118
local terms energy: -80.571898
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -13.898
tors. eta vs tors. theta energy: -20.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -201.124284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.124284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.124284 (E_RNA)
where:
Base-Base interactions energy: -128.975
where: short stacking energy: -58.134
Base-Backbone interact. energy: -0.624
local terms energy: -71.525318
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -13.838
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: 4
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -133.367894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.367894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.367894 (E_RNA)
where:
Base-Base interactions energy: -80.185
where: short stacking energy: -44.033
Base-Backbone interact. energy: -0.095
local terms energy: -53.087899
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -11.784
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -6.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -107.487809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.487809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.487809 (E_RNA)
where:
Base-Base interactions energy: -62.525
where: short stacking energy: -32.500
Base-Backbone interact. energy: -0.059
local terms energy: -44.904264
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -8.199
flat angles C4'-P-C4' energy: -11.618
flat angles P-C4'-P energy: -2.679
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: 10
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -80.023356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.023356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.023356 (E_RNA)
where:
Base-Base interactions energy: -26.461
where: short stacking energy: -27.769
Base-Backbone interact. energy: -0.113
local terms energy: -53.449369
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -2.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -75.000763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.000763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.000763 (E_RNA)
where:
Base-Base interactions energy: -34.062
where: short stacking energy: -15.843
Base-Backbone interact. energy: -0.245
local terms energy: -40.693692
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -11.284
flat angles P-C4'-P energy: -1.628
tors. eta vs tors. theta energy: 1.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -80.647113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.647113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.647113 (E_RNA)
where:
Base-Base interactions energy: -30.313
where: short stacking energy: -30.313
Base-Backbone interact. energy: -0.080
local terms energy: -50.253351
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -13.037
flat angles C4'-P-C4' energy: -8.900
flat angles P-C4'-P energy: -5.948
tors. eta vs tors. theta energy: -8.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -208.947254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.947254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.947254 (E_RNA)
where:
Base-Base interactions energy: -129.971
where: short stacking energy: -69.457
Base-Backbone interact. energy: 0.314
local terms energy: -79.290228
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -12.417
tors. eta vs tors. theta energy: -18.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -228.161407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.161407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.161407 (E_RNA)
where:
Base-Base interactions energy: -149.344
where: short stacking energy: -69.307
Base-Backbone interact. energy: -0.921
local terms energy: -77.896280
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -17.465
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -21.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -197.144164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.144164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.144164 (E_RNA)
where:
Base-Base interactions energy: -133.573
where: short stacking energy: -54.410
Base-Backbone interact. energy: -0.430
local terms energy: -63.141067
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -13.826
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -10.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -192.478267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.478267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.478267 (E_RNA)
where:
Base-Base interactions energy: -122.820
where: short stacking energy: -64.350
Base-Backbone interact. energy: -0.255
local terms energy: -69.403421
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -12.836
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -12.676
tors. eta vs tors. theta energy: -15.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -195.729538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.729538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.729538 (E_RNA)
where:
Base-Base interactions energy: -132.739
where: short stacking energy: -64.817
Base-Backbone interact. energy: -0.503
local terms energy: -62.487438
where:
bonds (distance) C4'-P energy: -8.517
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -7.205
tors. eta vs tors. theta energy: -17.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -138.720700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.720700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.720700 (E_RNA)
where:
Base-Base interactions energy: -73.072
where: short stacking energy: -40.390
Base-Backbone interact. energy: -0.672
local terms energy: -64.977085
where:
bonds (distance) C4'-P energy: -11.320
bonds (distance) P-C4' energy: -18.116
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -13.034
tors. eta vs tors. theta energy: -10.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -89.645070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.645070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.645070 (E_RNA)
where:
Base-Base interactions energy: -43.550
where: short stacking energy: -24.546
Base-Backbone interact. energy: -0.234
local terms energy: -45.861092
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -9.398
flat angles P-C4'-P energy: -5.665
tors. eta vs tors. theta energy: -1.500
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: 5
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -96.080475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.080475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.080475 (E_RNA)
where:
Base-Base interactions energy: -37.495
where: short stacking energy: -37.495
Base-Backbone interact. energy: -0.126
local terms energy: -58.459379
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: -5.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -86.457445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.457445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.457445 (E_RNA)
where:
Base-Base interactions energy: -35.568
where: short stacking energy: -31.240
Base-Backbone interact. energy: -0.056
local terms energy: -50.834019
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -2.572
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: 10, replica: 3
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -81.516513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.516513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.516513 (E_RNA)
where:
Base-Base interactions energy: -21.944
where: short stacking energy: -18.579
Base-Backbone interact. energy: -0.038
local terms energy: -59.534774
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -12.116
tors. eta vs tors. theta energy: 1.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -234.753630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.753630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.753630 (E_RNA)
where:
Base-Base interactions energy: -155.774
where: short stacking energy: -76.368
Base-Backbone interact. energy: -0.001
local terms energy: -78.978421
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -12.801
tors. eta vs tors. theta energy: -19.528
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: 2
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -205.366205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.366205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.366205 (E_RNA)
where:
Base-Base interactions energy: -130.663
where: short stacking energy: -55.709
Base-Backbone interact. energy: -0.052
local terms energy: -74.650902
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -17.314
flat angles P-C4'-P energy: -12.298
tors. eta vs tors. theta energy: -15.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -208.191447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.191447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.191447 (E_RNA)
where:
Base-Base interactions energy: -129.292
where: short stacking energy: -61.251
Base-Backbone interact. energy: 0.633
local terms energy: -79.532979
where:
bonds (distance) C4'-P energy: -15.393
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -12.810
tors. eta vs tors. theta energy: -19.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -187.041385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.041385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.041385 (E_RNA)
where:
Base-Base interactions energy: -119.068
where: short stacking energy: -59.298
Base-Backbone interact. energy: -0.009
local terms energy: -67.963748
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -9.664
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: -18.125
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: 1
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -199.374786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.374786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.374786 (E_RNA)
where:
Base-Base interactions energy: -133.446
where: short stacking energy: -57.516
Base-Backbone interact. energy: -0.612
local terms energy: -65.317082
where:
bonds (distance) C4'-P energy: -8.556
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -14.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -157.687894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.687894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.687894 (E_RNA)
where:
Base-Base interactions energy: -105.636
where: short stacking energy: -34.672
Base-Backbone interact. energy: -0.821
local terms energy: -51.231131
where:
bonds (distance) C4'-P energy: -9.238
bonds (distance) P-C4' energy: -11.898
flat angles C4'-P-C4' energy: -12.553
flat angles P-C4'-P energy: -9.026
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: 7, replica: 5
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -96.124614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.124614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.124614 (E_RNA)
where:
Base-Base interactions energy: -39.030
where: short stacking energy: -39.030
Base-Backbone interact. energy: -0.017
local terms energy: -57.077335
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -6.778
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: 8, replica: 6
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -74.647190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.647190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.647190 (E_RNA)
where:
Base-Base interactions energy: -33.609
where: short stacking energy: -33.190
Base-Backbone interact. energy: -0.015
local terms energy: -41.022545
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -8.930
flat angles P-C4'-P energy: -6.488
tors. eta vs tors. theta energy: 3.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -79.686938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.686938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.686938 (E_RNA)
where:
Base-Base interactions energy: -28.395
where: short stacking energy: -28.044
Base-Backbone interact. energy: 0.387
local terms energy: -51.678971
where:
bonds (distance) C4'-P energy: -8.009
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -5.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -99.247755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.247755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.247755 (E_RNA)
where:
Base-Base interactions energy: -49.381
where: short stacking energy: -32.522
Base-Backbone interact. energy: -0.450
local terms energy: -49.416845
where:
bonds (distance) C4'-P energy: -12.800
bonds (distance) P-C4' energy: -12.336
flat angles C4'-P-C4' energy: -10.311
flat angles P-C4'-P energy: -7.281
tors. eta vs tors. theta energy: -6.689
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: 69
Temperature: 0.900000
Total energy: -235.813116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.813116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.813116 (E_RNA)
where:
Base-Base interactions energy: -151.758
where: short stacking energy: -70.764
Base-Backbone interact. energy: -0.005
local terms energy: -84.050234
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -10.817
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: 2, replica: 2
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -204.091513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.091513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.091513 (E_RNA)
where:
Base-Base interactions energy: -137.045
where: short stacking energy: -64.297
Base-Backbone interact. energy: -0.875
local terms energy: -66.170771
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -12.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -195.738781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.738781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.738781 (E_RNA)
where:
Base-Base interactions energy: -124.684
where: short stacking energy: -56.820
Base-Backbone interact. energy: -0.692
local terms energy: -70.362999
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -13.623
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: 1
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -206.583895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.583895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.583895 (E_RNA)
where:
Base-Base interactions energy: -135.562
where: short stacking energy: -60.482
Base-Backbone interact. energy: -0.472
local terms energy: -70.549668
where:
bonds (distance) C4'-P energy: -17.344
bonds (distance) P-C4' energy: -10.544
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -15.628
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: 7
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -181.248198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.248198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.248198 (E_RNA)
where:
Base-Base interactions energy: -119.618
where: short stacking energy: -56.621
Base-Backbone interact. energy: 1.002
local terms energy: -62.631900
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -12.293
flat angles C4'-P-C4' energy: -12.038
flat angles P-C4'-P energy: -10.735
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: 6, replica: 4
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -146.676017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.676017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.676017 (E_RNA)
where:
Base-Base interactions energy: -91.168
where: short stacking energy: -38.766
Base-Backbone interact. energy: -1.715
local terms energy: -53.792895
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -11.236
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -3.739
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: 5
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -99.313589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.313589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.313589 (E_RNA)
where:
Base-Base interactions energy: -46.719
where: short stacking energy: -25.332
Base-Backbone interact. energy: 0.398
local terms energy: -52.992278
where:
bonds (distance) C4'-P energy: -10.736
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -12.052
flat angles P-C4'-P energy: -8.123
tors. eta vs tors. theta energy: -5.698
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: 8, replica: 3
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -88.573470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.573470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.573470 (E_RNA)
where:
Base-Base interactions energy: -39.896
where: short stacking energy: -39.127
Base-Backbone interact. energy: -0.068
local terms energy: -48.609512
where:
bonds (distance) C4'-P energy: -7.053
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -11.644
flat angles P-C4'-P energy: -6.427
tors. eta vs tors. theta energy: -9.256
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: 6
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -82.808781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.808781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.808781 (E_RNA)
where:
Base-Base interactions energy: -27.624
where: short stacking energy: -26.223
Base-Backbone interact. energy: -0.098
local terms energy: -55.087003
where:
bonds (distance) C4'-P energy: -12.961
bonds (distance) P-C4' energy: -12.072
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -3.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -85.888296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.888296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.888296 (E_RNA)
where:
Base-Base interactions energy: -46.688
where: short stacking energy: -30.226
Base-Backbone interact. energy: -0.340
local terms energy: -38.860985
where:
bonds (distance) C4'-P energy: -2.278
bonds (distance) P-C4' energy: -9.516
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -1.619
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: 8
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -228.060080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.060080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.060080 (E_RNA)
where:
Base-Base interactions energy: -150.311
where: short stacking energy: -69.147
Base-Backbone interact. energy: 0.534
local terms energy: -78.283299
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: -19.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -196.161479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.161479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.161479 (E_RNA)
where:
Base-Base interactions energy: -132.555
where: short stacking energy: -67.079
Base-Backbone interact. energy: 1.200
local terms energy: -64.806357
where:
bonds (distance) C4'-P energy: -10.721
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -10.636
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -17.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -213.372404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.372404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.372404 (E_RNA)
where:
Base-Base interactions energy: -137.668
where: short stacking energy: -63.827
Base-Backbone interact. energy: 0.635
local terms energy: -76.339708
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -18.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -198.820284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.820284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.820284 (E_RNA)
where:
Base-Base interactions energy: -130.629
where: short stacking energy: -64.680
Base-Backbone interact. energy: 0.110
local terms energy: -68.301359
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -16.500
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: 7
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -184.144899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.144899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.144899 (E_RNA)
where:
Base-Base interactions energy: -121.463
where: short stacking energy: -52.834
Base-Backbone interact. energy: -0.054
local terms energy: -62.628280
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -10.896
flat angles C4'-P-C4' energy: -15.482
flat angles P-C4'-P energy: -8.371
tors. eta vs tors. theta energy: -13.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -153.744796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.744796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.744796 (E_RNA)
where:
Base-Base interactions energy: -99.414
where: short stacking energy: -41.406
Base-Backbone interact. energy: 0.078
local terms energy: -54.409252
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: 2.604
tors. eta vs tors. theta energy: -9.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -85.530181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.530181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.530181 (E_RNA)
where:
Base-Base interactions energy: -31.364
where: short stacking energy: -31.364
Base-Backbone interact. energy: -0.313
local terms energy: -53.853113
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -14.975
flat angles C4'-P-C4' energy: -11.768
flat angles P-C4'-P energy: -10.561
tors. eta vs tors. theta energy: -0.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -93.673168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.673168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.673168 (E_RNA)
where:
Base-Base interactions energy: -33.596
where: short stacking energy: -31.802
Base-Backbone interact. energy: -1.014
local terms energy: -59.063344
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -12.861
flat angles C4'-P-C4' energy: -13.983
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -7.311
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: 6
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -71.813365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.813365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.813365 (E_RNA)
where:
Base-Base interactions energy: -24.005
where: short stacking energy: -23.463
Base-Backbone interact. energy: -0.038
local terms energy: -47.769728
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -10.448
flat angles C4'-P-C4' energy: -9.549
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -4.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -78.615689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.615689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.615689 (E_RNA)
where:
Base-Base interactions energy: -31.373
where: short stacking energy: -29.633
Base-Backbone interact. energy: 0.018
local terms energy: -47.261164
where:
bonds (distance) C4'-P energy: -10.534
bonds (distance) P-C4' energy: -11.104
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -2.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -222.342271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.342271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.342271 (E_RNA)
where:
Base-Base interactions energy: -143.808
where: short stacking energy: -71.698
Base-Backbone interact. energy: -0.002
local terms energy: -78.532758
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -20.381
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: 1
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -225.881601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.881601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.881601 (E_RNA)
where:
Base-Base interactions energy: -150.388
where: short stacking energy: -70.544
Base-Backbone interact. energy: -0.002
local terms energy: -75.491912
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -20.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -204.616675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.616675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.616675 (E_RNA)
where:
Base-Base interactions energy: -139.141
where: short stacking energy: -70.809
Base-Backbone interact. energy: 0.127
local terms energy: -65.602124
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -13.814
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -16.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -191.169253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.169253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.169253 (E_RNA)
where:
Base-Base interactions energy: -123.632
where: short stacking energy: -63.359
Base-Backbone interact. energy: 0.783
local terms energy: -68.320312
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -7.326
tors. eta vs tors. theta energy: -13.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -194.650444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.650444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.650444 (E_RNA)
where:
Base-Base interactions energy: -125.838
where: short stacking energy: -63.853
Base-Backbone interact. energy: -0.005
local terms energy: -68.808170
where:
bonds (distance) C4'-P energy: -11.571
bonds (distance) P-C4' energy: -17.830
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -8.923
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: 6, replica: 3
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -104.523523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.523523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.523523 (E_RNA)
where:
Base-Base interactions energy: -41.696
where: short stacking energy: -29.416
Base-Backbone interact. energy: -0.963
local terms energy: -61.863887
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -13.371
tors. eta vs tors. theta energy: -1.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -138.718414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.718414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.718414 (E_RNA)
where:
Base-Base interactions energy: -82.568
where: short stacking energy: -52.654
Base-Backbone interact. energy: -0.073
local terms energy: -56.077768
where:
bonds (distance) C4'-P energy: -7.902
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -13.141
flat angles P-C4'-P energy: -5.966
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: 6
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -96.724264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.724264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.724264 (E_RNA)
where:
Base-Base interactions energy: -38.993
where: short stacking energy: -38.993
Base-Backbone interact. energy: -0.034
local terms energy: -57.697186
where:
bonds (distance) C4'-P energy: -6.594
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -11.663
tors. eta vs tors. theta energy: -11.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -97.218043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.218043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.218043 (E_RNA)
where:
Base-Base interactions energy: -50.954
where: short stacking energy: -24.665
Base-Backbone interact. energy: -0.122
local terms energy: -46.142304
where:
bonds (distance) C4'-P energy: -10.530
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -5.177
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -5.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -85.321420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.321420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.321420 (E_RNA)
where:
Base-Base interactions energy: -33.842
where: short stacking energy: -26.036
Base-Backbone interact. energy: 0.185
local terms energy: -51.664762
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -10.653
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -2.517
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: 1, replica: 1
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -227.393870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.393870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.393870 (E_RNA)
where:
Base-Base interactions energy: -148.551
where: short stacking energy: -72.070
Base-Backbone interact. energy: -0.024
local terms energy: -78.819709
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -12.320
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: 2, replica: 8
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -229.105998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.105998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.105998 (E_RNA)
where:
Base-Base interactions energy: -149.904
where: short stacking energy: -80.186
Base-Backbone interact. energy: -0.235
local terms energy: -78.966198
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -21.253
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: 3, replica: 2
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -191.594082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.594082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.594082 (E_RNA)
where:
Base-Base interactions energy: -120.938
where: short stacking energy: -58.806
Base-Backbone interact. energy: -0.035
local terms energy: -70.621027
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -12.747
flat angles P-C4'-P energy: -14.290
tors. eta vs tors. theta energy: -13.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -223.444558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.444558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.444558 (E_RNA)
where:
Base-Base interactions energy: -161.333
where: short stacking energy: -55.848
Base-Backbone interact. energy: -0.549
local terms energy: -61.563327
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -1.748
tors. eta vs tors. theta energy: -13.434
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: 3
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -103.003170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.003170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.003170 (E_RNA)
where:
Base-Base interactions energy: -40.679
where: short stacking energy: -40.177
Base-Backbone interact. energy: -0.107
local terms energy: -62.216791
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -7.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -191.140721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.140721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.140721 (E_RNA)
where:
Base-Base interactions energy: -122.428
where: short stacking energy: -67.186
Base-Backbone interact. energy: -0.036
local terms energy: -68.676401
where:
bonds (distance) C4'-P energy: -9.654
bonds (distance) P-C4' energy: -14.484
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -9.627
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: 7, replica: 6
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -90.794316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.794316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.794316 (E_RNA)
where:
Base-Base interactions energy: -41.861
where: short stacking energy: -33.078
Base-Backbone interact. energy: -0.265
local terms energy: -48.668278
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -10.375
flat angles P-C4'-P energy: -6.173
tors. eta vs tors. theta energy: -4.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -138.506547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.506547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.506547 (E_RNA)
where:
Base-Base interactions energy: -85.135
where: short stacking energy: -48.742
Base-Backbone interact. energy: -0.061
local terms energy: -53.310100
where:
bonds (distance) C4'-P energy: -11.628
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -8.699
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -9.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -82.392727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.392727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.392727 (E_RNA)
where:
Base-Base interactions energy: -35.002
where: short stacking energy: -34.631
Base-Backbone interact. energy: -0.004
local terms energy: -47.386319
where:
bonds (distance) C4'-P energy: -11.872
bonds (distance) P-C4' energy: -14.157
flat angles C4'-P-C4' energy: -9.753
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -3.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -80.168924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.168924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.168924 (E_RNA)
where:
Base-Base interactions energy: -34.297
where: short stacking energy: -30.259
Base-Backbone interact. energy: 0.574
local terms energy: -46.445593
where:
bonds (distance) C4'-P energy: -9.769
bonds (distance) P-C4' energy: -11.238
flat angles C4'-P-C4' energy: -8.037
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -6.219
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: 1
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -227.079119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.079119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.079119 (E_RNA)
where:
Base-Base interactions energy: -145.158
where: short stacking energy: -75.581
Base-Backbone interact. energy: -0.171
local terms energy: -81.749341
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -21.215
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: 8
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -226.473686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.473686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.473686 (E_RNA)
where:
Base-Base interactions energy: -139.278
where: short stacking energy: -69.694
Base-Backbone interact. energy: -0.745
local terms energy: -86.450306
where:
bonds (distance) C4'-P energy: -18.474
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -18.781
flat angles P-C4'-P energy: -12.749
tors. eta vs tors. theta energy: -19.237
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: 2
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -202.768814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.768814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.768814 (E_RNA)
where:
Base-Base interactions energy: -139.720
where: short stacking energy: -66.752
Base-Backbone interact. energy: -0.069
local terms energy: -62.979503
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -14.002
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -4.708
tors. eta vs tors. theta energy: -14.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -211.616020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.616020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.616020 (E_RNA)
where:
Base-Base interactions energy: -139.964
where: short stacking energy: -60.581
Base-Backbone interact. energy: -0.264
local terms energy: -71.387525
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: -17.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -119.158684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.158684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.158684 (E_RNA)
where:
Base-Base interactions energy: -72.443
where: short stacking energy: -34.191
Base-Backbone interact. energy: -0.267
local terms energy: -46.448857
where:
bonds (distance) C4'-P energy: -6.021
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -10.298
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: 6, replica: 9
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -182.473077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.473077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.473077 (E_RNA)
where:
Base-Base interactions energy: -120.398
where: short stacking energy: -59.727
Base-Backbone interact. energy: -0.511
local terms energy: -61.563587
where:
bonds (distance) C4'-P energy: -14.423
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -10.532
flat angles P-C4'-P energy: -6.089
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: 7, replica: 6
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -97.048903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.048903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.048903 (E_RNA)
where:
Base-Base interactions energy: -37.906
where: short stacking energy: -37.906
Base-Backbone interact. energy: 0.053
local terms energy: -59.195945
where:
bonds (distance) C4'-P energy: -10.119
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -11.859
tors. eta vs tors. theta energy: -10.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -133.463866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.463866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.463866 (E_RNA)
where:
Base-Base interactions energy: -76.574
where: short stacking energy: -43.001
Base-Backbone interact. energy: -0.081
local terms energy: -56.809092
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -10.295
flat angles P-C4'-P energy: -7.863
tors. eta vs tors. theta energy: -8.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -99.496880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.496880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.496880 (E_RNA)
where:
Base-Base interactions energy: -45.252
where: short stacking energy: -45.252
Base-Backbone interact. energy: -0.151
local terms energy: -54.094051
where:
bonds (distance) C4'-P energy: -10.066
bonds (distance) P-C4' energy: -13.460
flat angles C4'-P-C4' energy: -10.198
flat angles P-C4'-P energy: -12.526
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: 5
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -79.982987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.982987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.982987 (E_RNA)
where:
Base-Base interactions energy: -28.497
where: short stacking energy: -27.953
Base-Backbone interact. energy: 0.234
local terms energy: -51.719056
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -10.453
flat angles C4'-P-C4' energy: -11.810
flat angles P-C4'-P energy: -7.498
tors. eta vs tors. theta energy: -7.417
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: 1, replica: 8
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -226.304168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.304168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.304168 (E_RNA)
where:
Base-Base interactions energy: -151.340
where: short stacking energy: -75.723
Base-Backbone interact. energy: -0.752
local terms energy: -74.211438
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -18.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -223.663434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.663434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.663434 (E_RNA)
where:
Base-Base interactions energy: -149.429
where: short stacking energy: -70.177
Base-Backbone interact. energy: -0.072
local terms energy: -74.162711
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -13.114
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -13.764
tors. eta vs tors. theta energy: -19.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -198.682424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.682424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.682424 (E_RNA)
where:
Base-Base interactions energy: -120.764
where: short stacking energy: -63.598
Base-Backbone interact. energy: -0.001
local terms energy: -77.916986
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -17.688
flat angles P-C4'-P energy: -9.994
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: 4, replica: 7
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -219.110288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.110288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.110288 (E_RNA)
where:
Base-Base interactions energy: -151.165
where: short stacking energy: -65.295
Base-Backbone interact. energy: -0.151
local terms energy: -67.794383
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -10.793
flat angles C4'-P-C4' energy: -16.856
flat angles P-C4'-P energy: -9.708
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: 9
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -197.848445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.848445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.848445 (E_RNA)
where:
Base-Base interactions energy: -137.159
where: short stacking energy: -51.693
Base-Backbone interact. energy: -0.204
local terms energy: -60.484770
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -8.767
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: 6, replica: 3
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -118.818790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.818790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.818790 (E_RNA)
where:
Base-Base interactions energy: -66.226
where: short stacking energy: -33.310
Base-Backbone interact. energy: 1.907
local terms energy: -54.499813
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -3.572
tors. eta vs tors. theta energy: -6.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -95.608963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.608963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.608963 (E_RNA)
where:
Base-Base interactions energy: -33.038
where: short stacking energy: -27.341
Base-Backbone interact. energy: -0.139
local terms energy: -62.432228
where:
bonds (distance) C4'-P energy: -16.194
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -7.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -98.472755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.472755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.472755 (E_RNA)
where:
Base-Base interactions energy: -40.288
where: short stacking energy: -40.288
Base-Backbone interact. energy: 0.666
local terms energy: -58.851137
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -11.157
flat angles P-C4'-P energy: -4.411
tors. eta vs tors. theta energy: -10.626
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: 5
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -97.408714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.408714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.408714 (E_RNA)
where:
Base-Base interactions energy: -49.676
where: short stacking energy: -34.404
Base-Backbone interact. energy: -0.094
local terms energy: -47.638400
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -13.935
flat angles C4'-P-C4' energy: -9.141
flat angles P-C4'-P energy: -7.205
tors. eta vs tors. theta energy: -3.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -79.497806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.497806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.497806 (E_RNA)
where:
Base-Base interactions energy: -35.073
where: short stacking energy: -34.555
Base-Backbone interact. energy: -0.237
local terms energy: -44.187614
where:
bonds (distance) C4'-P energy: -7.457
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -12.816
flat angles P-C4'-P energy: -6.800
tors. eta vs tors. theta energy: -2.033
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: 75
Temperature: 0.900000
Total energy: -229.092418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.092418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.092418 (E_RNA)
where:
Base-Base interactions energy: -149.828
where: short stacking energy: -76.034
Base-Backbone interact. energy: 0.093
local terms energy: -79.357545
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -13.761
tors. eta vs tors. theta energy: -19.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -217.858207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.858207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.858207 (E_RNA)
where:
Base-Base interactions energy: -140.109
where: short stacking energy: -69.295
Base-Backbone interact. energy: -0.101
local terms energy: -77.648685
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -19.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -203.054031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.054031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.054031 (E_RNA)
where:
Base-Base interactions energy: -132.863
where: short stacking energy: -59.303
Base-Backbone interact. energy: -0.818
local terms energy: -69.372538
where:
bonds (distance) C4'-P energy: -13.938
bonds (distance) P-C4' energy: -13.598
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: -15.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -216.087176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.087176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.087176 (E_RNA)
where:
Base-Base interactions energy: -149.249
where: short stacking energy: -63.680
Base-Backbone interact. energy: -0.056
local terms energy: -66.781875
where:
bonds (distance) C4'-P energy: -12.127
bonds (distance) P-C4' energy: -16.679
flat angles C4'-P-C4' energy: -16.519
flat angles P-C4'-P energy: -5.874
tors. eta vs tors. theta energy: -15.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -191.570638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.570638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.570638 (E_RNA)
where:
Base-Base interactions energy: -125.162
where: short stacking energy: -55.562
Base-Backbone interact. energy: -0.368
local terms energy: -66.040586
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -13.369
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -13.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -118.102471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.102471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.102471 (E_RNA)
where:
Base-Base interactions energy: -62.541
where: short stacking energy: -39.222
Base-Backbone interact. energy: -0.098
local terms energy: -55.463711
where:
bonds (distance) C4'-P energy: -11.022
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -9.742
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -10.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -86.767544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.767544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.767544 (E_RNA)
where:
Base-Base interactions energy: -35.396
where: short stacking energy: -34.818
Base-Backbone interact. energy: -0.104
local terms energy: -51.267557
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -10.722
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -7.628
tors. eta vs tors. theta energy: -7.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -86.214675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.214675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.214675 (E_RNA)
where:
Base-Base interactions energy: -34.545
where: short stacking energy: -34.545
Base-Backbone interact. energy: -0.036
local terms energy: -51.633801
where:
bonds (distance) C4'-P energy: -11.094
bonds (distance) P-C4' energy: -12.318
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -6.104
tors. eta vs tors. theta energy: -8.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -79.324498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.324498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.324498 (E_RNA)
where:
Base-Base interactions energy: -29.438
where: short stacking energy: -28.993
Base-Backbone interact. energy: -0.114
local terms energy: -49.772704
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -7.640
flat angles P-C4'-P energy: -6.400
tors. eta vs tors. theta energy: -5.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -93.720922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.720922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.720922 (E_RNA)
where:
Base-Base interactions energy: -47.798
where: short stacking energy: -21.586
Base-Backbone interact. energy: -0.453
local terms energy: -45.470468
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -7.016
tors. eta vs tors. theta energy: 4.042
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: 8
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -229.082543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.082543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.082543 (E_RNA)
where:
Base-Base interactions energy: -154.031
where: short stacking energy: -73.138
Base-Backbone interact. energy: -0.009
local terms energy: -75.043330
where:
bonds (distance) C4'-P energy: -16.810
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -14.869
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -17.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -223.866604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.866604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.866604 (E_RNA)
where:
Base-Base interactions energy: -148.642
where: short stacking energy: -66.849
Base-Backbone interact. energy: -0.690
local terms energy: -74.534738
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -14.274
flat angles C4'-P-C4' energy: -16.191
flat angles P-C4'-P energy: -10.381
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: 3, replica: 7
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -219.267462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.267462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.267462 (E_RNA)
where:
Base-Base interactions energy: -147.829
where: short stacking energy: -68.035
Base-Backbone interact. energy: -0.459
local terms energy: -70.979626
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -11.137
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -13.657
tors. eta vs tors. theta energy: -15.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -201.553759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.553759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.553759 (E_RNA)
where:
Base-Base interactions energy: -131.944
where: short stacking energy: -65.675
Base-Backbone interact. energy: -0.015
local terms energy: -69.594371
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -10.885
flat angles P-C4'-P energy: -9.625
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: 5, replica: 9
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -180.766012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.766012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.766012 (E_RNA)
where:
Base-Base interactions energy: -110.785
where: short stacking energy: -61.133
Base-Backbone interact. energy: -0.151
local terms energy: -69.829653
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -9.281
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: 4
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -116.014936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.014936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.014936 (E_RNA)
where:
Base-Base interactions energy: -56.305
where: short stacking energy: -48.857
Base-Backbone interact. energy: -0.045
local terms energy: -59.665278
where:
bonds (distance) C4'-P energy: -11.118
bonds (distance) P-C4' energy: -18.015
flat angles C4'-P-C4' energy: -12.169
flat angles P-C4'-P energy: -5.534
tors. eta vs tors. theta energy: -12.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -96.762345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.762345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.762345 (E_RNA)
where:
Base-Base interactions energy: -40.702
where: short stacking energy: -42.368
Base-Backbone interact. energy: -0.055
local terms energy: -56.005046
where:
bonds (distance) C4'-P energy: -8.618
bonds (distance) P-C4' energy: -15.443
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -9.128
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: 8, replica: 3
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -88.110477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.110477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.110477 (E_RNA)
where:
Base-Base interactions energy: -33.287
where: short stacking energy: -33.287
Base-Backbone interact. energy: -0.250
local terms energy: -54.573536
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -10.347
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -5.290
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: 9, replica: 10
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -80.243369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.243369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.243369 (E_RNA)
where:
Base-Base interactions energy: -35.634
where: short stacking energy: -30.713
Base-Backbone interact. energy: -0.104
local terms energy: -44.505723
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -9.779
flat angles C4'-P-C4' energy: -11.119
flat angles P-C4'-P energy: -6.582
tors. eta vs tors. theta energy: -4.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -83.477785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.477785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.477785 (E_RNA)
where:
Base-Base interactions energy: -29.114
where: short stacking energy: -20.714
Base-Backbone interact. energy: 1.305
local terms energy: -55.667867
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -18.472
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -5.194
tors. eta vs tors. theta energy: -2.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -230.827925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.827925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.827925 (E_RNA)
where:
Base-Base interactions energy: -151.345
where: short stacking energy: -69.846
Base-Backbone interact. energy: -0.005
local terms energy: -79.477676
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -13.789
tors. eta vs tors. theta energy: -17.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -221.922227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.922227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.922227 (E_RNA)
where:
Base-Base interactions energy: -151.782
where: short stacking energy: -61.820
Base-Backbone interact. energy: -0.383
local terms energy: -69.757826
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -15.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -227.878020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.878020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.878020 (E_RNA)
where:
Base-Base interactions energy: -148.624
where: short stacking energy: -74.026
Base-Backbone interact. energy: -0.338
local terms energy: -78.916272
where:
bonds (distance) C4'-P energy: -17.461
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -8.046
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: 9
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -188.617364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.617364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.617364 (E_RNA)
where:
Base-Base interactions energy: -123.584
where: short stacking energy: -52.702
Base-Backbone interact. energy: -0.768
local terms energy: -64.265315
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -8.936
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: 5, replica: 2
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -188.510062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.510062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.510062 (E_RNA)
where:
Base-Base interactions energy: -118.645
where: short stacking energy: -49.472
Base-Backbone interact. energy: -0.849
local terms energy: -69.016342
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -17.377
flat angles C4'-P-C4' energy: -13.084
flat angles P-C4'-P energy: -10.078
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: 6, replica: 5
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -100.940663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.940663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.940663 (E_RNA)
where:
Base-Base interactions energy: -49.466
where: short stacking energy: -35.524
Base-Backbone interact. energy: -0.653
local terms energy: -50.821118
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -11.612
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -1.009
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: 4
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -101.396099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.396099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.396099 (E_RNA)
where:
Base-Base interactions energy: -50.068
where: short stacking energy: -30.887
Base-Backbone interact. energy: -0.102
local terms energy: -51.226253
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -11.341
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -2.398
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: 10
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -94.976583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.976583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.976583 (E_RNA)
where:
Base-Base interactions energy: -44.194
where: short stacking energy: -29.209
Base-Backbone interact. energy: -0.810
local terms energy: -49.973167
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -5.819
tors. eta vs tors. theta energy: -3.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -81.577698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.577698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.577698 (E_RNA)
where:
Base-Base interactions energy: -34.587
where: short stacking energy: -28.255
Base-Backbone interact. energy: -0.046
local terms energy: -46.943847
where:
bonds (distance) C4'-P energy: -11.972
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -8.814
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -2.399
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: 10, replica: 6
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -72.552466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.552466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.552466 (E_RNA)
where:
Base-Base interactions energy: -32.007
where: short stacking energy: -21.149
Base-Backbone interact. energy: -0.800
local terms energy: -39.745708
where:
bonds (distance) C4'-P energy: -8.281
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -10.866
flat angles P-C4'-P energy: -4.976
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: 1, replica: 7
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -222.316838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.316838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.316838 (E_RNA)
where:
Base-Base interactions energy: -149.437
where: short stacking energy: -64.932
Base-Backbone interact. energy: 0.855
local terms energy: -73.734605
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -16.394
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -11.717
tors. eta vs tors. theta energy: -15.575
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: 78
Temperature: 0.950000
Total energy: -226.281442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.281442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.281442 (E_RNA)
where:
Base-Base interactions energy: -153.294
where: short stacking energy: -73.833
Base-Backbone interact. energy: -0.897
local terms energy: -72.090575
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -12.022
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -6.824
tors. eta vs tors. theta energy: -23.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -215.369594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.369594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.369594 (E_RNA)
where:
Base-Base interactions energy: -141.755
where: short stacking energy: -69.544
Base-Backbone interact. energy: -0.605
local terms energy: -73.009137
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -11.295
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -22.565
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: 9
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -190.556988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.556988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.556988 (E_RNA)
where:
Base-Base interactions energy: -124.522
where: short stacking energy: -57.808
Base-Backbone interact. energy: -0.074
local terms energy: -65.961459
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -11.574
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -10.280
tors. eta vs tors. theta energy: -16.862
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: 2
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -189.512455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.512455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.512455 (E_RNA)
where:
Base-Base interactions energy: -122.962
where: short stacking energy: -49.317
Base-Backbone interact. energy: 0.756
local terms energy: -67.306447
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -14.975
flat angles C4'-P-C4' energy: -11.078
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -13.135
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: 5
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -114.707115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.707115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.707115 (E_RNA)
where:
Base-Base interactions energy: -53.871
where: short stacking energy: -39.215
Base-Backbone interact. energy: -0.517
local terms energy: -60.318252
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -14.780
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: -4.640
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: 10
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -95.876081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.876081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.876081 (E_RNA)
where:
Base-Base interactions energy: -43.144
where: short stacking energy: -43.144
Base-Backbone interact. energy: -0.002
local terms energy: -52.730871
where:
bonds (distance) C4'-P energy: -10.038
bonds (distance) P-C4' energy: -11.527
flat angles C4'-P-C4' energy: -11.279
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -10.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -84.354180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.354180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.354180 (E_RNA)
where:
Base-Base interactions energy: -39.828
where: short stacking energy: -39.828
Base-Backbone interact. energy: -0.171
local terms energy: -44.354740
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -7.810
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -6.960
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: 9, replica: 6
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -83.799823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.799823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.799823 (E_RNA)
where:
Base-Base interactions energy: -28.246
where: short stacking energy: -28.246
Base-Backbone interact. energy: -0.734
local terms energy: -54.818886
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -10.835
flat angles P-C4'-P energy: -10.313
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: 10, replica: 3
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -83.122366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.122366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.122366 (E_RNA)
where:
Base-Base interactions energy: -35.132
where: short stacking energy: -35.132
Base-Backbone interact. energy: -0.023
local terms energy: -47.967573
where:
bonds (distance) C4'-P energy: -8.679
bonds (distance) P-C4' energy: -16.147
flat angles C4'-P-C4' energy: -11.950
flat angles P-C4'-P energy: -3.683
tors. eta vs tors. theta energy: -7.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -224.874865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.874865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.874865 (E_RNA)
where:
Base-Base interactions energy: -146.637
where: short stacking energy: -65.612
Base-Backbone interact. energy: -0.431
local terms energy: -77.807677
where:
bonds (distance) C4'-P energy: -17.366
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -12.881
tors. eta vs tors. theta energy: -14.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -224.318296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.318296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.318296 (E_RNA)
where:
Base-Base interactions energy: -144.712
where: short stacking energy: -72.025
Base-Backbone interact. energy: -0.219
local terms energy: -79.387156
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -16.737
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -22.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -221.818557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.818557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.818557 (E_RNA)
where:
Base-Base interactions energy: -147.930
where: short stacking energy: -77.941
Base-Backbone interact. energy: -0.004
local terms energy: -73.885162
where:
bonds (distance) C4'-P energy: -10.455
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -12.056
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: 4, replica: 2
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -190.222264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.222264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.222264 (E_RNA)
where:
Base-Base interactions energy: -127.281
where: short stacking energy: -51.326
Base-Backbone interact. energy: -1.189
local terms energy: -61.752281
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -4.968
tors. eta vs tors. theta energy: -12.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -170.153324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.153324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.153324 (E_RNA)
where:
Base-Base interactions energy: -112.950
where: short stacking energy: -51.360
Base-Backbone interact. energy: -0.007
local terms energy: -57.195787
where:
bonds (distance) C4'-P energy: -12.291
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -4.295
tors. eta vs tors. theta energy: -12.504
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: 6, replica: 5
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -106.530415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.530415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.530415 (E_RNA)
where:
Base-Base interactions energy: -42.662
where: short stacking energy: -42.662
Base-Backbone interact. energy: -0.096
local terms energy: -63.772031
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -12.498
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: -13.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -98.207538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.207538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.207538 (E_RNA)
where:
Base-Base interactions energy: -46.578
where: short stacking energy: -37.435
Base-Backbone interact. energy: 1.145
local terms energy: -52.774578
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -15.854
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -5.969
tors. eta vs tors. theta energy: -6.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -99.102670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.102670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.102670 (E_RNA)
where:
Base-Base interactions energy: -41.860
where: short stacking energy: -29.836
Base-Backbone interact. energy: -0.158
local terms energy: -57.085554
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -7.929
tors. eta vs tors. theta energy: -2.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -78.077855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.077855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.077855 (E_RNA)
where:
Base-Base interactions energy: -27.927
where: short stacking energy: -27.927
Base-Backbone interact. energy: -0.162
local terms energy: -49.988503
where:
bonds (distance) C4'-P energy: -10.315
bonds (distance) P-C4' energy: -13.534
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -6.060
tors. eta vs tors. theta energy: -3.209
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: 3
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -85.541899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.541899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.541899 (E_RNA)
where:
Base-Base interactions energy: -32.886
where: short stacking energy: -24.562
Base-Backbone interact. energy: -0.303
local terms energy: -52.352943
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -7.085
tors. eta vs tors. theta energy: -2.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -226.859799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.859799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.859799 (E_RNA)
where:
Base-Base interactions energy: -155.594
where: short stacking energy: -73.318
Base-Backbone interact. energy: -0.001
local terms energy: -71.265296
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -15.312
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -19.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -213.565427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.565427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.565427 (E_RNA)
where:
Base-Base interactions energy: -157.515
where: short stacking energy: -53.892
Base-Backbone interact. energy: -1.882
local terms energy: -54.168401
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -11.796
flat angles P-C4'-P energy: -5.623
tors. eta vs tors. theta energy: -9.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -216.304725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.304725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.304725 (E_RNA)
where:
Base-Base interactions energy: -142.870
where: short stacking energy: -67.751
Base-Backbone interact. energy: -0.503
local terms energy: -72.931908
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -9.423
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: 2
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -200.697157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.697157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.697157 (E_RNA)
where:
Base-Base interactions energy: -136.111
where: short stacking energy: -53.688
Base-Backbone interact. energy: -0.341
local terms energy: -64.245295
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -14.974
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -8.074
tors. eta vs tors. theta energy: -10.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -187.060279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.060279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.060279 (E_RNA)
where:
Base-Base interactions energy: -121.334
where: short stacking energy: -63.473
Base-Backbone interact. energy: -0.162
local terms energy: -65.563741
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -12.223
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -15.238
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: 6, replica: 5
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -84.857979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.857979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.857979 (E_RNA)
where:
Base-Base interactions energy: -35.809
where: short stacking energy: -27.811
Base-Backbone interact. energy: -0.303
local terms energy: -48.745512
where:
bonds (distance) C4'-P energy: -13.968
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -11.984
flat angles P-C4'-P energy: -9.331
tors. eta vs tors. theta energy: -0.880
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: 10
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -94.083111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.083111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.083111 (E_RNA)
where:
Base-Base interactions energy: -44.536
where: short stacking energy: -42.314
Base-Backbone interact. energy: -0.035
local terms energy: -49.511567
where:
bonds (distance) C4'-P energy: -11.422
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -12.610
flat angles P-C4'-P energy: -4.930
tors. eta vs tors. theta energy: -4.817
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: 4
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -90.220661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.220661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.220661 (E_RNA)
where:
Base-Base interactions energy: -35.313
where: short stacking energy: -19.847
Base-Backbone interact. energy: -0.531
local terms energy: -54.376554
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -16.922
flat angles C4'-P-C4' energy: -13.064
flat angles P-C4'-P energy: -10.121
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: 9, replica: 3
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -81.370854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.370854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.370854 (E_RNA)
where:
Base-Base interactions energy: -43.307
where: short stacking energy: -27.964
Base-Backbone interact. energy: -0.743
local terms energy: -37.321260
where:
bonds (distance) C4'-P energy: -6.816
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -9.391
flat angles P-C4'-P energy: -7.588
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: 6
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -76.889477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.889477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.889477 (E_RNA)
where:
Base-Base interactions energy: -27.999
where: short stacking energy: -19.672
Base-Backbone interact. energy: -0.024
local terms energy: -48.866663
where:
bonds (distance) C4'-P energy: -16.581
bonds (distance) P-C4' energy: -11.396
flat angles C4'-P-C4' energy: -9.983
flat angles P-C4'-P energy: -6.717
tors. eta vs tors. theta energy: -4.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -231.386406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.386406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.386406 (E_RNA)
where:
Base-Base interactions energy: -152.022
where: short stacking energy: -73.588
Base-Backbone interact. energy: -0.293
local terms energy: -79.071516
where:
bonds (distance) C4'-P energy: -10.042
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -17.238
flat angles P-C4'-P energy: -15.253
tors. eta vs tors. theta energy: -21.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -219.530861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.530861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.530861 (E_RNA)
where:
Base-Base interactions energy: -145.317
where: short stacking energy: -65.689
Base-Backbone interact. energy: -0.010
local terms energy: -74.203577
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -13.801
tors. eta vs tors. theta energy: -17.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -219.608520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.608520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.608520 (E_RNA)
where:
Base-Base interactions energy: -140.227
where: short stacking energy: -65.627
Base-Backbone interact. energy: -0.071
local terms energy: -79.309878
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -12.214
tors. eta vs tors. theta energy: -17.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -196.786427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.786427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.786427 (E_RNA)
where:
Base-Base interactions energy: -127.291
where: short stacking energy: -69.596
Base-Backbone interact. energy: -0.383
local terms energy: -69.112369
where:
bonds (distance) C4'-P energy: -11.932
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -7.461
tors. eta vs tors. theta energy: -16.963
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: 9
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -179.513915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.513915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.513915 (E_RNA)
where:
Base-Base interactions energy: -113.506
where: short stacking energy: -47.754
Base-Backbone interact. energy: -0.096
local terms energy: -65.911305
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -12.630
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -10.977
tors. eta vs tors. theta energy: -10.933
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: 10
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -95.533574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.533574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.533574 (E_RNA)
where:
Base-Base interactions energy: -43.909
where: short stacking energy: -37.924
Base-Backbone interact. energy: -0.350
local terms energy: -51.274771
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -9.916
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -5.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -85.683363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.683363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.683363 (E_RNA)
where:
Base-Base interactions energy: -26.667
where: short stacking energy: -26.487
Base-Backbone interact. energy: -0.313
local terms energy: -58.702744
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -12.291
flat angles P-C4'-P energy: -8.108
tors. eta vs tors. theta energy: -5.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -92.727858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.727858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.727858 (E_RNA)
where:
Base-Base interactions energy: -35.018
where: short stacking energy: -24.374
Base-Backbone interact. energy: -0.001
local terms energy: -57.709257
where:
bonds (distance) C4'-P energy: -16.083
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -13.682
flat angles P-C4'-P energy: -7.256
tors. eta vs tors. theta energy: -7.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -80.541859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.541859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.541859 (E_RNA)
where:
Base-Base interactions energy: -36.411
where: short stacking energy: -36.411
Base-Backbone interact. energy: -0.021
local terms energy: -44.109970
where:
bonds (distance) C4'-P energy: -9.255
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: 2.701
tors. eta vs tors. theta energy: -9.336
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: 6
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -71.021018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.021018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.021018 (E_RNA)
where:
Base-Base interactions energy: -19.846
where: short stacking energy: -14.424
Base-Backbone interact. energy: -1.084
local terms energy: -50.091426
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -0.050
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: 8
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -235.398881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.398881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.398881 (E_RNA)
where:
Base-Base interactions energy: -159.220
where: short stacking energy: -77.835
Base-Backbone interact. energy: -0.003
local terms energy: -76.176484
where:
bonds (distance) C4'-P energy: -12.307
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -21.298
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: 82
Temperature: 0.950000
Total energy: -222.344573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.344573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.344573 (E_RNA)
where:
Base-Base interactions energy: -149.437
where: short stacking energy: -68.770
Base-Backbone interact. energy: -0.756
local terms energy: -72.151905
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -16.275
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -17.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -227.754549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.754549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.754549 (E_RNA)
where:
Base-Base interactions energy: -146.468
where: short stacking energy: -65.369
Base-Backbone interact. energy: -0.001
local terms energy: -81.285340
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: -12.576
tors. eta vs tors. theta energy: -20.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -184.413144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.413144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.413144 (E_RNA)
where:
Base-Base interactions energy: -119.343
where: short stacking energy: -59.561
Base-Backbone interact. energy: -0.022
local terms energy: -65.048086
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -13.802
flat angles C4'-P-C4' energy: -12.338
flat angles P-C4'-P energy: -11.097
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: 5, replica: 9
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -179.645915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.645915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.645915 (E_RNA)
where:
Base-Base interactions energy: -115.397
where: short stacking energy: -60.222
Base-Backbone interact. energy: -0.021
local terms energy: -64.227823
where:
bonds (distance) C4'-P energy: -14.714
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -9.662
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: -15.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -99.698430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.698430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.698430 (E_RNA)
where:
Base-Base interactions energy: -37.206
where: short stacking energy: -34.645
Base-Backbone interact. energy: -0.037
local terms energy: -62.455641
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -15.671
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -12.023
tors. eta vs tors. theta energy: -7.121
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: 3
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -90.177904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.177904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.177904 (E_RNA)
where:
Base-Base interactions energy: -46.849
where: short stacking energy: -29.472
Base-Backbone interact. energy: 0.229
local terms energy: -43.557625
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -10.036
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -7.502
tors. eta vs tors. theta energy: 1.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -91.862646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.862646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.862646 (E_RNA)
where:
Base-Base interactions energy: -29.685
where: short stacking energy: -29.877
Base-Backbone interact. energy: -0.113
local terms energy: -62.064250
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -5.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -94.773588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.773588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.773588 (E_RNA)
where:
Base-Base interactions energy: -30.760
where: short stacking energy: -28.306
Base-Backbone interact. energy: 0.457
local terms energy: -64.470237
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -16.445
flat angles P-C4'-P energy: -10.989
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: 4
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -80.255790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.255790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.255790 (E_RNA)
where:
Base-Base interactions energy: -29.954
where: short stacking energy: -29.954
Base-Backbone interact. energy: -0.036
local terms energy: -50.266240
where:
bonds (distance) C4'-P energy: -14.085
bonds (distance) P-C4' energy: -4.554
flat angles C4'-P-C4' energy: -11.367
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -8.265
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: 8
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -222.506985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.506985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.506985 (E_RNA)
where:
Base-Base interactions energy: -144.578
where: short stacking energy: -63.043
Base-Backbone interact. energy: -0.598
local terms energy: -77.330449
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -17.128
flat angles P-C4'-P energy: -11.278
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: 2, replica: 1
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -234.306258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.306258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.306258 (E_RNA)
where:
Base-Base interactions energy: -153.361
where: short stacking energy: -77.748
Base-Backbone interact. energy: 0.124
local terms energy: -81.069033
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -17.809
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -22.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -215.861749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.861749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.861749 (E_RNA)
where:
Base-Base interactions energy: -143.756
where: short stacking energy: -67.102
Base-Backbone interact. energy: -0.504
local terms energy: -71.601277
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -12.988
tors. eta vs tors. theta energy: -15.614
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: 9
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -196.416345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.416345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.416345 (E_RNA)
where:
Base-Base interactions energy: -132.309
where: short stacking energy: -66.479
Base-Backbone interact. energy: -0.001
local terms energy: -64.106600
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -8.038
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: 5, replica: 2
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -189.207900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.207900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.207900 (E_RNA)
where:
Base-Base interactions energy: -125.910
where: short stacking energy: -54.238
Base-Backbone interact. energy: -0.080
local terms energy: -63.217870
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -11.683
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -12.794
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: 83
Temperature: 1.150000
Total energy: -94.619252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.619252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.619252 (E_RNA)
where:
Base-Base interactions energy: -38.833
where: short stacking energy: -38.833
Base-Backbone interact. energy: -0.237
local terms energy: -55.548464
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -11.153
flat angles C4'-P-C4' energy: -12.213
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -8.854
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: 3
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -113.720388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.720388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.720388 (E_RNA)
where:
Base-Base interactions energy: -66.881
where: short stacking energy: -41.586
Base-Backbone interact. energy: -0.099
local terms energy: -46.740496
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -10.620
flat angles C4'-P-C4' energy: -8.505
flat angles P-C4'-P energy: -7.821
tors. eta vs tors. theta energy: -6.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -102.779154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.779154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.779154 (E_RNA)
where:
Base-Base interactions energy: -56.766
where: short stacking energy: -40.542
Base-Backbone interact. energy: 0.755
local terms energy: -46.767951
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -11.068
flat angles C4'-P-C4' energy: -11.047
flat angles P-C4'-P energy: -8.655
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: 9, replica: 5
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -87.628517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.628517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.628517 (E_RNA)
where:
Base-Base interactions energy: -35.484
where: short stacking energy: -26.388
Base-Backbone interact. energy: -0.395
local terms energy: -51.749822
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -15.954
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -6.120
tors. eta vs tors. theta energy: -4.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -73.619937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.619937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.619937 (E_RNA)
where:
Base-Base interactions energy: -30.050
where: short stacking energy: -30.150
Base-Backbone interact. energy: 1.054
local terms energy: -44.623583
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -10.333
flat angles P-C4'-P energy: -5.989
tors. eta vs tors. theta energy: -1.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -232.520165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.520165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.520165 (E_RNA)
where:
Base-Base interactions energy: -151.270
where: short stacking energy: -73.851
Base-Backbone interact. energy: -0.000
local terms energy: -81.249497
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -16.270
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -23.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -228.572997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.572997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.572997 (E_RNA)
where:
Base-Base interactions energy: -150.734
where: short stacking energy: -73.819
Base-Backbone interact. energy: -0.013
local terms energy: -77.826084
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -14.724
flat angles C4'-P-C4' energy: -17.102
flat angles P-C4'-P energy: -13.805
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: 3, replica: 7
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -210.017965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.017965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.017965 (E_RNA)
where:
Base-Base interactions energy: -144.487
where: short stacking energy: -62.591
Base-Backbone interact. energy: -0.003
local terms energy: -65.528345
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -16.454
flat angles P-C4'-P energy: -8.137
tors. eta vs tors. theta energy: -12.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -196.239115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.239115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.239115 (E_RNA)
where:
Base-Base interactions energy: -132.097
where: short stacking energy: -52.381
Base-Backbone interact. energy: -0.133
local terms energy: -64.009155
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -7.166
tors. eta vs tors. theta energy: -11.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -182.486032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.486032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.486032 (E_RNA)
where:
Base-Base interactions energy: -115.228
where: short stacking energy: -59.047
Base-Backbone interact. energy: -0.075
local terms energy: -67.182663
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -12.433
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: 10
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -99.913290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.913290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.913290 (E_RNA)
where:
Base-Base interactions energy: -46.883
where: short stacking energy: -34.621
Base-Backbone interact. energy: -0.171
local terms energy: -52.859535
where:
bonds (distance) C4'-P energy: -11.180
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -0.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -98.290285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.290285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.290285 (E_RNA)
where:
Base-Base interactions energy: -48.167
where: short stacking energy: -43.656
Base-Backbone interact. energy: -0.104
local terms energy: -50.019060
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -7.616
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -6.797
tors. eta vs tors. theta energy: -10.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -90.396441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.396441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.396441 (E_RNA)
where:
Base-Base interactions energy: -36.246
where: short stacking energy: -33.642
Base-Backbone interact. energy: 1.323
local terms energy: -55.473950
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -7.387
tors. eta vs tors. theta energy: -5.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -82.039132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.039132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.039132 (E_RNA)
where:
Base-Base interactions energy: -31.908
where: short stacking energy: -31.238
Base-Backbone interact. energy: -0.154
local terms energy: -49.977739
where:
bonds (distance) C4'-P energy: -15.400
bonds (distance) P-C4' energy: -10.621
flat angles C4'-P-C4' energy: -11.325
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -4.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -78.237647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.237647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.237647 (E_RNA)
where:
Base-Base interactions energy: -25.046
where: short stacking energy: -24.048
Base-Backbone interact. energy: -0.212
local terms energy: -52.979687
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -9.826
flat angles P-C4'-P energy: -7.942
tors. eta vs tors. theta energy: -2.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -227.913123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.913123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.913123 (E_RNA)
where:
Base-Base interactions energy: -147.942
where: short stacking energy: -70.683
Base-Backbone interact. energy: -0.000
local terms energy: -79.970584
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -13.599
tors. eta vs tors. theta energy: -20.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -229.870793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.870793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.870793 (E_RNA)
where:
Base-Base interactions energy: -149.779
where: short stacking energy: -75.156
Base-Backbone interact. energy: -0.005
local terms energy: -80.085959
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -17.590
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -20.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -210.608561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.608561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.608561 (E_RNA)
where:
Base-Base interactions energy: -138.391
where: short stacking energy: -57.941
Base-Backbone interact. energy: -0.591
local terms energy: -71.626067
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -18.588
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -15.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -189.706521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.706521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.706521 (E_RNA)
where:
Base-Base interactions energy: -126.746
where: short stacking energy: -56.211
Base-Backbone interact. energy: -0.258
local terms energy: -62.702932
where:
bonds (distance) C4'-P energy: -10.790
bonds (distance) P-C4' energy: -15.357
flat angles C4'-P-C4' energy: -12.226
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -11.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -192.913599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.913599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.913599 (E_RNA)
where:
Base-Base interactions energy: -122.570
where: short stacking energy: -56.751
Base-Backbone interact. energy: -0.006
local terms energy: -70.337575
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -11.509
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: 6, replica: 3
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -112.178734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.178734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.178734 (E_RNA)
where:
Base-Base interactions energy: -50.163
where: short stacking energy: -50.163
Base-Backbone interact. energy: -0.018
local terms energy: -61.997843
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -7.039
tors. eta vs tors. theta energy: -11.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -91.084777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.084777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.084777 (E_RNA)
where:
Base-Base interactions energy: -41.413
where: short stacking energy: -41.413
Base-Backbone interact. energy: -0.197
local terms energy: -49.475004
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -11.970
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -6.489
tors. eta vs tors. theta energy: -4.953
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: 8, replica: 4
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -97.666753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.666753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.666753 (E_RNA)
where:
Base-Base interactions energy: -43.316
where: short stacking energy: -35.392
Base-Backbone interact. energy: -0.176
local terms energy: -54.174592
where:
bonds (distance) C4'-P energy: -11.781
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -7.350
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: 9, replica: 6
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -99.490009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.490009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.490009 (E_RNA)
where:
Base-Base interactions energy: -46.626
where: short stacking energy: -35.742
Base-Backbone interact. energy: -0.116
local terms energy: -52.747647
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -11.285
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: -2.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -70.795972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.795972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.795972 (E_RNA)
where:
Base-Base interactions energy: -30.164
where: short stacking energy: -30.164
Base-Backbone interact. energy: -0.346
local terms energy: -40.285893
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -10.838
flat angles C4'-P-C4' energy: -8.200
flat angles P-C4'-P energy: -7.514
tors. eta vs tors. theta energy: -2.082
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: 8
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -227.290271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.290271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.290271 (E_RNA)
where:
Base-Base interactions energy: -147.720
where: short stacking energy: -69.343
Base-Backbone interact. energy: -0.091
local terms energy: -79.479210
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -13.325
flat angles C4'-P-C4' energy: -18.193
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -23.032
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: 1
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -226.029758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.029758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.029758 (E_RNA)
where:
Base-Base interactions energy: -147.683
where: short stacking energy: -72.186
Base-Backbone interact. energy: -0.219
local terms energy: -78.128462
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -14.687
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -22.463
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: 3, replica: 7
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -209.941534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.941534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.941534 (E_RNA)
where:
Base-Base interactions energy: -135.777
where: short stacking energy: -60.329
Base-Backbone interact. energy: -1.012
local terms energy: -73.153173
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -16.791
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -14.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -180.202434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.202434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.202434 (E_RNA)
where:
Base-Base interactions energy: -119.198
where: short stacking energy: -60.809
Base-Backbone interact. energy: -0.031
local terms energy: -60.973261
where:
bonds (distance) C4'-P energy: -6.887
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -11.166
tors. eta vs tors. theta energy: -11.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -183.307660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.307660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.307660 (E_RNA)
where:
Base-Base interactions energy: -136.130
where: short stacking energy: -55.952
Base-Backbone interact. energy: 1.821
local terms energy: -48.998490
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -10.742
flat angles C4'-P-C4' energy: -3.758
flat angles P-C4'-P energy: -6.851
tors. eta vs tors. theta energy: -12.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -92.444697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.444697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.444697 (E_RNA)
where:
Base-Base interactions energy: -45.911
where: short stacking energy: -45.911
Base-Backbone interact. energy: -0.132
local terms energy: -46.402010
where:
bonds (distance) C4'-P energy: -11.337
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -9.244
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -3.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -99.723034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.723034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.723034 (E_RNA)
where:
Base-Base interactions energy: -43.673
where: short stacking energy: -43.409
Base-Backbone interact. energy: -0.066
local terms energy: -55.984204
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -10.768
flat angles P-C4'-P energy: -5.478
tors. eta vs tors. theta energy: -9.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -92.236376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.236376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.236376 (E_RNA)
where:
Base-Base interactions energy: -37.653
where: short stacking energy: -31.575
Base-Backbone interact. energy: -0.801
local terms energy: -53.782435
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -12.711
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -6.274
tors. eta vs tors. theta energy: -8.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -81.739914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.739914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.739914 (E_RNA)
where:
Base-Base interactions energy: -32.244
where: short stacking energy: -27.294
Base-Backbone interact. energy: -0.112
local terms energy: -49.383709
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -12.647
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -4.208
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: 6
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -69.302854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.302854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.302854 (E_RNA)
where:
Base-Base interactions energy: -23.325
where: short stacking energy: -21.949
Base-Backbone interact. energy: -0.163
local terms energy: -45.814522
where:
bonds (distance) C4'-P energy: -15.813
bonds (distance) P-C4' energy: -13.475
flat angles C4'-P-C4' energy: -12.501
flat angles P-C4'-P energy: -3.069
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: 8
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -237.080324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.080324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.080324 (E_RNA)
where:
Base-Base interactions energy: -158.331
where: short stacking energy: -76.738
Base-Backbone interact. energy: -0.002
local terms energy: -78.747356
where:
bonds (distance) C4'-P energy: -12.034
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -18.124
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -22.546
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: 7
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -215.772876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.772876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.772876 (E_RNA)
where:
Base-Base interactions energy: -143.549
where: short stacking energy: -70.790
Base-Backbone interact. energy: -0.796
local terms energy: -71.428429
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -10.141
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -10.619
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: 87
Temperature: 1.000000
Total energy: -222.893503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.893503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.893503 (E_RNA)
where:
Base-Base interactions energy: -144.693
where: short stacking energy: -71.492
Base-Backbone interact. energy: -0.012
local terms energy: -78.188403
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -18.505
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -20.185
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: 2
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -194.273940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.273940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.273940 (E_RNA)
where:
Base-Base interactions energy: -122.842
where: short stacking energy: -60.337
Base-Backbone interact. energy: -0.067
local terms energy: -71.365162
where:
bonds (distance) C4'-P energy: -12.006
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -18.328
flat angles P-C4'-P energy: -8.063
tors. eta vs tors. theta energy: -16.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -189.570166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.570166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.570166 (E_RNA)
where:
Base-Base interactions energy: -125.019
where: short stacking energy: -66.884
Base-Backbone interact. energy: -0.116
local terms energy: -64.434605
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -10.189
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -7.096
tors. eta vs tors. theta energy: -14.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -88.700412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.700412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.700412 (E_RNA)
where:
Base-Base interactions energy: -43.667
where: short stacking energy: -38.526
Base-Backbone interact. energy: -0.508
local terms energy: -44.525324
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -11.842
flat angles C4'-P-C4' energy: -10.984
flat angles P-C4'-P energy: -3.864
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: 7, replica: 10
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -102.003132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.003132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.003132 (E_RNA)
where:
Base-Base interactions energy: -43.006
where: short stacking energy: -41.065
Base-Backbone interact. energy: -0.165
local terms energy: -58.832304
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -13.431
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -7.841
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: 8, replica: 5
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -88.390566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.390566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.390566 (E_RNA)
where:
Base-Base interactions energy: -46.733
where: short stacking energy: -18.580
Base-Backbone interact. energy: 0.644
local terms energy: -42.302012
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -12.125
flat angles P-C4'-P energy: -5.701
tors. eta vs tors. theta energy: 0.214
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: 4
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -95.359663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.359663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.359663 (E_RNA)
where:
Base-Base interactions energy: -40.872
where: short stacking energy: -21.402
Base-Backbone interact. energy: -0.405
local terms energy: -54.082868
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -11.778
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -1.387
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: 6
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -94.547241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.547241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.547241 (E_RNA)
where:
Base-Base interactions energy: -63.657
where: short stacking energy: -28.160
Base-Backbone interact. energy: 2.004
local terms energy: -32.894404
where:
bonds (distance) C4'-P energy: -3.118
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -7.616
flat angles P-C4'-P energy: -4.420
tors. eta vs tors. theta energy: -2.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -231.307339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.307339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.307339 (E_RNA)
where:
Base-Base interactions energy: -155.210
where: short stacking energy: -73.319
Base-Backbone interact. energy: -0.012
local terms energy: -76.085390
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -21.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -217.522416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.522416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.522416 (E_RNA)
where:
Base-Base interactions energy: -144.934
where: short stacking energy: -61.540
Base-Backbone interact. energy: -0.721
local terms energy: -71.867047
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -18.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -219.481052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.481052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.481052 (E_RNA)
where:
Base-Base interactions energy: -148.095
where: short stacking energy: -65.287
Base-Backbone interact. energy: -0.019
local terms energy: -71.366746
where:
bonds (distance) C4'-P energy: -11.451
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -18.654
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: 4, replica: 2
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -186.288222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.288222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.288222 (E_RNA)
where:
Base-Base interactions energy: -127.158
where: short stacking energy: -62.363
Base-Backbone interact. energy: -0.109
local terms energy: -59.020701
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -11.102
flat angles P-C4'-P energy: -9.891
tors. eta vs tors. theta energy: -11.178
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: 9
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -178.355109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.355109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.355109 (E_RNA)
where:
Base-Base interactions energy: -117.245
where: short stacking energy: -49.461
Base-Backbone interact. energy: -0.007
local terms energy: -61.103382
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -6.031
tors. eta vs tors. theta energy: -13.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -94.399258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.399258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.399258 (E_RNA)
where:
Base-Base interactions energy: -44.335
where: short stacking energy: -28.175
Base-Backbone interact. energy: -0.282
local terms energy: -49.781862
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -12.805
flat angles C4'-P-C4' energy: -11.125
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -4.282
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: 5
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -100.944147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.944147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.944147 (E_RNA)
where:
Base-Base interactions energy: -35.030
where: short stacking energy: -34.876
Base-Backbone interact. energy: -0.735
local terms energy: -65.178755
where:
bonds (distance) C4'-P energy: -14.543
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -9.441
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -11.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -83.818895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.818895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.818895 (E_RNA)
where:
Base-Base interactions energy: -47.568
where: short stacking energy: -24.331
Base-Backbone interact. energy: -0.100
local terms energy: -36.150622
where:
bonds (distance) C4'-P energy: -10.305
bonds (distance) P-C4' energy: -10.591
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -0.680
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: 9, replica: 4
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -100.510325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.510325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.510325 (E_RNA)
where:
Base-Base interactions energy: -53.952
where: short stacking energy: -32.504
Base-Backbone interact. energy: -0.224
local terms energy: -46.334674
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -10.387
flat angles C4'-P-C4' energy: -11.825
flat angles P-C4'-P energy: -11.078
tors. eta vs tors. theta energy: 0.117
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: 6
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -74.459572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.459572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.459572 (E_RNA)
where:
Base-Base interactions energy: -20.906
where: short stacking energy: -20.383
Base-Backbone interact. energy: -0.108
local terms energy: -53.445736
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -11.572
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: -3.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -234.429500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.429500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.429500 (E_RNA)
where:
Base-Base interactions energy: -156.974
where: short stacking energy: -74.399
Base-Backbone interact. energy: -0.005
local terms energy: -77.449909
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -12.106
tors. eta vs tors. theta energy: -18.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -227.417107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.417107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.417107 (E_RNA)
where:
Base-Base interactions energy: -149.432
where: short stacking energy: -70.322
Base-Backbone interact. energy: -0.069
local terms energy: -77.915780
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -23.221
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: 89
Temperature: 1.000000
Total energy: -215.506397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.506397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.506397 (E_RNA)
where:
Base-Base interactions energy: -141.692
where: short stacking energy: -64.805
Base-Backbone interact. energy: 0.526
local terms energy: -74.339798
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -10.262
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: 4, replica: 2
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -184.503241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.503241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.503241 (E_RNA)
where:
Base-Base interactions energy: -119.984
where: short stacking energy: -61.235
Base-Backbone interact. energy: -0.034
local terms energy: -64.484946
where:
bonds (distance) C4'-P energy: -11.675
bonds (distance) P-C4' energy: -12.601
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -14.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -187.984988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.984988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.984988 (E_RNA)
where:
Base-Base interactions energy: -122.244
where: short stacking energy: -59.813
Base-Backbone interact. energy: -0.039
local terms energy: -65.701521
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -15.639
flat angles P-C4'-P energy: -2.988
tors. eta vs tors. theta energy: -14.513
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: 5
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -116.736004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.736004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.736004 (E_RNA)
where:
Base-Base interactions energy: -46.594
where: short stacking energy: -44.171
Base-Backbone interact. energy: -0.070
local terms energy: -70.072349
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -10.487
tors. eta vs tors. theta energy: -14.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -93.009717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.009717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.009717 (E_RNA)
where:
Base-Base interactions energy: -37.698
where: short stacking energy: -27.800
Base-Backbone interact. energy: -0.182
local terms energy: -55.130194
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -16.779
flat angles P-C4'-P energy: -5.439
tors. eta vs tors. theta energy: -2.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -83.743982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.743982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.743982 (E_RNA)
where:
Base-Base interactions energy: -34.271
where: short stacking energy: -22.795
Base-Backbone interact. energy: -1.155
local terms energy: -48.317957
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -11.499
flat angles P-C4'-P energy: -8.173
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: 9, replica: 10
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -81.537112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.537112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.537112 (E_RNA)
where:
Base-Base interactions energy: -32.985
where: short stacking energy: -32.985
Base-Backbone interact. energy: -0.130
local terms energy: -48.422038
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -12.834
flat angles P-C4'-P energy: -2.968
tors. eta vs tors. theta energy: -5.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -75.171347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.171347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.171347 (E_RNA)
where:
Base-Base interactions energy: -30.218
where: short stacking energy: -29.001
Base-Backbone interact. energy: -0.097
local terms energy: -44.856507
where:
bonds (distance) C4'-P energy: -10.953
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -9.496
flat angles P-C4'-P energy: -4.098
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: 1, replica: 1
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -234.977249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.977249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.977249 (E_RNA)
where:
Base-Base interactions energy: -152.818
where: short stacking energy: -73.173
Base-Backbone interact. energy: -0.005
local terms energy: -82.153412
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -16.561
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -22.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -229.502950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.502950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.502950 (E_RNA)
where:
Base-Base interactions energy: -153.057
where: short stacking energy: -73.727
Base-Backbone interact. energy: -0.001
local terms energy: -76.444386
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -12.262
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: -19.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -185.157459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.157459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.157459 (E_RNA)
where:
Base-Base interactions energy: -124.491
where: short stacking energy: -61.720
Base-Backbone interact. energy: -0.206
local terms energy: -60.461018
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -1.589
tors. eta vs tors. theta energy: -15.232
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: 7
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -201.413344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.413344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.413344 (E_RNA)
where:
Base-Base interactions energy: -140.226
where: short stacking energy: -53.975
Base-Backbone interact. energy: 0.124
local terms energy: -61.311267
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -7.174
tors. eta vs tors. theta energy: -14.994
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: 9
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -175.424760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.424760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.424760 (E_RNA)
where:
Base-Base interactions energy: -109.152
where: short stacking energy: -45.903
Base-Backbone interact. energy: -0.406
local terms energy: -65.866689
where:
bonds (distance) C4'-P energy: -14.143
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -10.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -102.947239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.947239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.947239 (E_RNA)
where:
Base-Base interactions energy: -50.880
where: short stacking energy: -26.503
Base-Backbone interact. energy: -0.036
local terms energy: -52.031296
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -10.047
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: -2.850
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: 3
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -97.119382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.119382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.119382 (E_RNA)
where:
Base-Base interactions energy: -41.067
where: short stacking energy: -41.067
Base-Backbone interact. energy: -0.551
local terms energy: -55.501452
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -12.414
flat angles C4'-P-C4' energy: -11.538
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -8.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -86.414076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.414076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.414076 (E_RNA)
where:
Base-Base interactions energy: -38.144
where: short stacking energy: -14.628
Base-Backbone interact. energy: -0.048
local terms energy: -48.222646
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -13.749
flat angles C4'-P-C4' energy: -11.080
flat angles P-C4'-P energy: -8.136
tors. eta vs tors. theta energy: -1.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -79.691385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.691385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.691385 (E_RNA)
where:
Base-Base interactions energy: -33.936
where: short stacking energy: -28.496
Base-Backbone interact. energy: -0.044
local terms energy: -45.711524
where:
bonds (distance) C4'-P energy: -9.879
bonds (distance) P-C4' energy: -13.886
flat angles C4'-P-C4' energy: -11.599
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -0.713
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: 10
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -83.369406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.369406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.369406 (E_RNA)
where:
Base-Base interactions energy: -31.366
where: short stacking energy: -31.263
Base-Backbone interact. energy: -0.892
local terms energy: -51.111432
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -3.561
tors. eta vs tors. theta energy: -3.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -231.174954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.174954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.174954 (E_RNA)
where:
Base-Base interactions energy: -147.608
where: short stacking energy: -71.488
Base-Backbone interact. energy: -0.574
local terms energy: -82.992313
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -14.081
tors. eta vs tors. theta energy: -23.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -234.529889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.529889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.529889 (E_RNA)
where:
Base-Base interactions energy: -151.557
where: short stacking energy: -78.646
Base-Backbone interact. energy: -0.579
local terms energy: -82.394295
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -15.859
flat angles C4'-P-C4' energy: -17.996
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: -19.996
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: 2
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -189.386350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.386350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.386350 (E_RNA)
where:
Base-Base interactions energy: -125.344
where: short stacking energy: -60.521
Base-Backbone interact. energy: -0.252
local terms energy: -63.790412
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -8.171
tors. eta vs tors. theta energy: -9.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -183.642162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.642162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.642162 (E_RNA)
where:
Base-Base interactions energy: -117.197
where: short stacking energy: -55.509
Base-Backbone interact. energy: -0.301
local terms energy: -66.143747
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -13.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -204.031814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.031814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.031814 (E_RNA)
where:
Base-Base interactions energy: -134.366
where: short stacking energy: -61.913
Base-Backbone interact. energy: -0.618
local terms energy: -69.047845
where:
bonds (distance) C4'-P energy: -10.329
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -10.876
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: 6, replica: 3
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -91.687679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.687679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.687679 (E_RNA)
where:
Base-Base interactions energy: -38.280
where: short stacking energy: -38.189
Base-Backbone interact. energy: 0.039
local terms energy: -53.445794
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -10.485
flat angles P-C4'-P energy: -10.532
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: 7, replica: 5
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -127.301381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.301381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.301381 (E_RNA)
where:
Base-Base interactions energy: -79.979
where: short stacking energy: -39.646
Base-Backbone interact. energy: -0.177
local terms energy: -47.145498
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -14.537
flat angles C4'-P-C4' energy: -6.616
flat angles P-C4'-P energy: -6.866
tors. eta vs tors. theta energy: -6.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -92.658661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.658661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.658661 (E_RNA)
where:
Base-Base interactions energy: -32.708
where: short stacking energy: -33.108
Base-Backbone interact. energy: 0.283
local terms energy: -60.234371
where:
bonds (distance) C4'-P energy: -10.525
bonds (distance) P-C4' energy: -18.719
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -3.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -117.539373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.539373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.539373 (E_RNA)
where:
Base-Base interactions energy: -66.243
where: short stacking energy: -37.705
Base-Backbone interact. energy: -0.119
local terms energy: -51.177658
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -8.998
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: -4.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -86.322882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.322882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.322882 (E_RNA)
where:
Base-Base interactions energy: -30.996
where: short stacking energy: -22.015
Base-Backbone interact. energy: -1.072
local terms energy: -54.255110
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -12.627
flat angles P-C4'-P energy: -7.763
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: 1, replica: 8
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -228.689009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.689009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.689009 (E_RNA)
where:
Base-Base interactions energy: -148.302
where: short stacking energy: -69.064
Base-Backbone interact. energy: -0.071
local terms energy: -80.316085
where:
bonds (distance) C4'-P energy: -17.067
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -17.826
flat angles P-C4'-P energy: -11.047
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: 2, replica: 1
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -223.189465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.189465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.189465 (E_RNA)
where:
Base-Base interactions energy: -144.392
where: short stacking energy: -65.928
Base-Backbone interact. energy: -0.300
local terms energy: -78.497813
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -13.488
flat angles P-C4'-P energy: -9.800
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: 3, replica: 9
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -194.583235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.583235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.583235 (E_RNA)
where:
Base-Base interactions energy: -120.728
where: short stacking energy: -51.778
Base-Backbone interact. energy: -0.060
local terms energy: -73.794774
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -17.267
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -13.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -180.310728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.310728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.310728 (E_RNA)
where:
Base-Base interactions energy: -124.835
where: short stacking energy: -45.632
Base-Backbone interact. energy: -1.439
local terms energy: -54.037392
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -9.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -187.690344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.690344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.690344 (E_RNA)
where:
Base-Base interactions energy: -127.114
where: short stacking energy: -56.406
Base-Backbone interact. energy: -0.192
local terms energy: -60.383430
where:
bonds (distance) C4'-P energy: -8.328
bonds (distance) P-C4' energy: -10.567
flat angles C4'-P-C4' energy: -13.885
flat angles P-C4'-P energy: -11.240
tors. eta vs tors. theta energy: -16.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -121.609963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.609963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.609963 (E_RNA)
where:
Base-Base interactions energy: -53.898
where: short stacking energy: -53.898
Base-Backbone interact. energy: -0.694
local terms energy: -67.017625
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -6.437
tors. eta vs tors. theta energy: -14.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -139.837399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.837399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.837399 (E_RNA)
where:
Base-Base interactions energy: -81.183
where: short stacking energy: -51.934
Base-Backbone interact. energy: -0.334
local terms energy: -58.320722
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -13.658
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -5.817
tors. eta vs tors. theta energy: -9.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -87.109599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.109599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.109599 (E_RNA)
where:
Base-Base interactions energy: -33.391
where: short stacking energy: -33.391
Base-Backbone interact. energy: -0.022
local terms energy: -53.697112
where:
bonds (distance) C4'-P energy: -17.894
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -7.830
flat angles P-C4'-P energy: -7.501
tors. eta vs tors. theta energy: -5.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -104.343386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.343386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.343386 (E_RNA)
where:
Base-Base interactions energy: -64.873
where: short stacking energy: -34.070
Base-Backbone interact. energy: 1.064
local terms energy: -40.534929
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -9.822
flat angles P-C4'-P energy: -6.719
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: 10
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -74.170005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.170005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.170005 (E_RNA)
where:
Base-Base interactions energy: -20.552
where: short stacking energy: -17.007
Base-Backbone interact. energy: -0.032
local terms energy: -53.585563
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -13.364
tors. eta vs tors. theta energy: 4.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -227.774375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.774375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.774375 (E_RNA)
where:
Base-Base interactions energy: -144.458
where: short stacking energy: -68.738
Base-Backbone interact. energy: -0.309
local terms energy: -83.008094
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -16.596
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -10.228
tors. eta vs tors. theta energy: -22.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -226.480199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.480199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.480199 (E_RNA)
where:
Base-Base interactions energy: -150.459
where: short stacking energy: -75.106
Base-Backbone interact. energy: -0.004
local terms energy: -76.017616
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -19.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -206.251419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.251419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.251419 (E_RNA)
where:
Base-Base interactions energy: -135.067
where: short stacking energy: -58.401
Base-Backbone interact. energy: -0.790
local terms energy: -70.394561
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -7.104
tors. eta vs tors. theta energy: -19.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -190.727318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.727318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.727318 (E_RNA)
where:
Base-Base interactions energy: -132.842
where: short stacking energy: -52.970
Base-Backbone interact. energy: -0.299
local terms energy: -57.586644
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -11.439
flat angles P-C4'-P energy: -6.809
tors. eta vs tors. theta energy: -10.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -177.070261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.070261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.070261 (E_RNA)
where:
Base-Base interactions energy: -116.542
where: short stacking energy: -49.555
Base-Backbone interact. energy: -0.254
local terms energy: -60.274199
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -10.896
tors. eta vs tors. theta energy: -7.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -136.751859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.751859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.751859 (E_RNA)
where:
Base-Base interactions energy: -77.731
where: short stacking energy: -44.586
Base-Backbone interact. energy: -0.196
local terms energy: -58.824681
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -6.665
tors. eta vs tors. theta energy: -11.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -114.576562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.576562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.576562 (E_RNA)
where:
Base-Base interactions energy: -49.096
where: short stacking energy: -49.096
Base-Backbone interact. energy: -0.003
local terms energy: -65.477684
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -10.363
flat angles P-C4'-P energy: -10.256
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: 8, replica: 4
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -79.494233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.494233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.494233 (E_RNA)
where:
Base-Base interactions energy: -35.846
where: short stacking energy: -22.101
Base-Backbone interact. energy: -0.505
local terms energy: -43.143925
where:
bonds (distance) C4'-P energy: -8.932
bonds (distance) P-C4' energy: -14.521
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: 1.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -80.178270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.178270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.178270 (E_RNA)
where:
Base-Base interactions energy: -40.942
where: short stacking energy: -16.247
Base-Backbone interact. energy: 0.061
local terms energy: -39.297875
where:
bonds (distance) C4'-P energy: -9.657
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -8.401
flat angles P-C4'-P energy: -4.664
tors. eta vs tors. theta energy: -1.696
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: 10
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -82.548904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.548904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.548904 (E_RNA)
where:
Base-Base interactions energy: -33.248
where: short stacking energy: -33.248
Base-Backbone interact. energy: 0.062
local terms energy: -49.362268
where:
bonds (distance) C4'-P energy: -6.887
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -6.586
tors. eta vs tors. theta energy: -4.687
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: 1, replica: 1
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -227.479658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.479658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.479658 (E_RNA)
where:
Base-Base interactions energy: -149.203
where: short stacking energy: -68.144
Base-Backbone interact. energy: -0.338
local terms energy: -77.938510
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -20.461
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: 2, replica: 8
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -215.179813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.179813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.179813 (E_RNA)
where:
Base-Base interactions energy: -141.457
where: short stacking energy: -67.003
Base-Backbone interact. energy: -0.001
local terms energy: -73.722326
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -12.185
flat angles C4'-P-C4' energy: -16.455
flat angles P-C4'-P energy: -11.634
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: 3, replica: 9
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -208.698460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.698460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.698460 (E_RNA)
where:
Base-Base interactions energy: -133.937
where: short stacking energy: -60.835
Base-Backbone interact. energy: -0.291
local terms energy: -74.470932
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -8.643
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: 4, replica: 7
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -198.561162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.561162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.561162 (E_RNA)
where:
Base-Base interactions energy: -139.691
where: short stacking energy: -57.240
Base-Backbone interact. energy: 0.131
local terms energy: -59.001151
where:
bonds (distance) C4'-P energy: -11.176
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -7.342
tors. eta vs tors. theta energy: -12.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -192.115612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.115612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.115612 (E_RNA)
where:
Base-Base interactions energy: -120.765
where: short stacking energy: -58.829
Base-Backbone interact. energy: -0.006
local terms energy: -71.344412
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -16.565
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: 5
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -147.903537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.903537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.903537 (E_RNA)
where:
Base-Base interactions energy: -86.477
where: short stacking energy: -40.372
Base-Backbone interact. energy: -0.675
local terms energy: -60.751421
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -10.869
tors. eta vs tors. theta energy: -5.006
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: 3
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -95.216243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.216243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.216243 (E_RNA)
where:
Base-Base interactions energy: -42.370
where: short stacking energy: -42.370
Base-Backbone interact. energy: -0.514
local terms energy: -52.331895
where:
bonds (distance) C4'-P energy: -9.611
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -7.314
tors. eta vs tors. theta energy: -7.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -94.575848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.575848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.575848 (E_RNA)
where:
Base-Base interactions energy: -46.085
where: short stacking energy: -41.841
Base-Backbone interact. energy: 0.422
local terms energy: -48.913236
where:
bonds (distance) C4'-P energy: -7.268
bonds (distance) P-C4' energy: -12.284
flat angles C4'-P-C4' energy: -13.370
flat angles P-C4'-P energy: -9.330
tors. eta vs tors. theta energy: -6.661
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: 10
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -75.680149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.680149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.680149 (E_RNA)
where:
Base-Base interactions energy: -21.844
where: short stacking energy: -21.844
Base-Backbone interact. energy: -1.088
local terms energy: -52.747539
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -8.547
flat angles P-C4'-P energy: -10.727
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: 10, replica: 6
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -76.827138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.827138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.827138 (E_RNA)
where:
Base-Base interactions energy: -26.421
where: short stacking energy: -26.421
Base-Backbone interact. energy: -0.385
local terms energy: -50.020747
where:
bonds (distance) C4'-P energy: -9.136
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -1.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -232.642274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.642274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.642274 (E_RNA)
where:
Base-Base interactions energy: -151.838
where: short stacking energy: -74.026
Base-Backbone interact. energy: -0.000
local terms energy: -80.804115
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -12.855
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: 8
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -230.585635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.585635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.585635 (E_RNA)
where:
Base-Base interactions energy: -152.460
where: short stacking energy: -74.409
Base-Backbone interact. energy: -0.322
local terms energy: -77.803564
where:
bonds (distance) C4'-P energy: -15.209
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: -19.619
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: 9
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -211.058439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.058439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.058439 (E_RNA)
where:
Base-Base interactions energy: -140.704
where: short stacking energy: -65.655
Base-Backbone interact. energy: -0.073
local terms energy: -70.281438
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -13.999
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -9.458
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: 4, replica: 7
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -208.705935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.705935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.705935 (E_RNA)
where:
Base-Base interactions energy: -138.324
where: short stacking energy: -67.020
Base-Backbone interact. energy: -0.837
local terms energy: -69.545065
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -16.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -191.122215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.122215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.122215 (E_RNA)
where:
Base-Base interactions energy: -129.744
where: short stacking energy: -58.362
Base-Backbone interact. energy: -0.514
local terms energy: -60.864180
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -4.323
tors. eta vs tors. theta energy: -11.675
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: 5
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -124.964290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.964290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.964290 (E_RNA)
where:
Base-Base interactions energy: -72.015
where: short stacking energy: -30.367
Base-Backbone interact. energy: -1.304
local terms energy: -51.645752
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -11.701
flat angles P-C4'-P energy: -5.148
tors. eta vs tors. theta energy: -5.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -86.663200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.663200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.663200 (E_RNA)
where:
Base-Base interactions energy: -39.049
where: short stacking energy: -21.857
Base-Backbone interact. energy: 0.817
local terms energy: -48.431602
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -9.445
flat angles P-C4'-P energy: -10.771
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: 8, replica: 10
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -83.300666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.300666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.300666 (E_RNA)
where:
Base-Base interactions energy: -34.724
where: short stacking energy: -28.848
Base-Backbone interact. energy: -0.605
local terms energy: -47.970980
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -12.339
flat angles C4'-P-C4' energy: -12.486
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: 0.125
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: 95
Temperature: 1.300000
Total energy: -79.441568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.441568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.441568 (E_RNA)
where:
Base-Base interactions energy: -36.193
where: short stacking energy: -28.450
Base-Backbone interact. energy: -0.132
local terms energy: -43.116687
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -12.459
flat angles P-C4'-P energy: -0.485
tors. eta vs tors. theta energy: -0.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -80.545949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.545949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.545949 (E_RNA)
where:
Base-Base interactions energy: -33.897
where: short stacking energy: -14.130
Base-Backbone interact. energy: -0.272
local terms energy: -46.376350
where:
bonds (distance) C4'-P energy: -10.694
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -12.053
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: 2.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -235.437919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.437919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.437919 (E_RNA)
where:
Base-Base interactions energy: -155.446
where: short stacking energy: -77.814
Base-Backbone interact. energy: 0.793
local terms energy: -80.785372
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -15.836
flat angles P-C4'-P energy: -13.236
tors. eta vs tors. theta energy: -21.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -230.032314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.032314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.032314 (E_RNA)
where:
Base-Base interactions energy: -144.239
where: short stacking energy: -71.077
Base-Backbone interact. energy: -0.001
local terms energy: -85.792799
where:
bonds (distance) C4'-P energy: -17.795
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -13.657
flat angles P-C4'-P energy: -13.030
tors. eta vs tors. theta energy: -24.583
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: 7
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -209.351975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.351975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.351975 (E_RNA)
where:
Base-Base interactions energy: -134.198
where: short stacking energy: -65.439
Base-Backbone interact. energy: -0.399
local terms energy: -74.755077
where:
bonds (distance) C4'-P energy: -17.343
bonds (distance) P-C4' energy: -11.188
flat angles C4'-P-C4' energy: -16.319
flat angles P-C4'-P energy: -12.429
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: 4, replica: 9
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -192.562000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.562000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.562000 (E_RNA)
where:
Base-Base interactions energy: -126.475
where: short stacking energy: -55.318
Base-Backbone interact. energy: 0.021
local terms energy: -66.107429
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -14.605
flat angles C4'-P-C4' energy: -17.335
flat angles P-C4'-P energy: -6.089
tors. eta vs tors. theta energy: -13.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -178.843834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.843834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.843834 (E_RNA)
where:
Base-Base interactions energy: -117.672
where: short stacking energy: -56.331
Base-Backbone interact. energy: -0.091
local terms energy: -61.081461
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -13.146
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -5.175
tors. eta vs tors. theta energy: -12.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -142.773951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.773951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.773951 (E_RNA)
where:
Base-Base interactions energy: -82.405
where: short stacking energy: -43.217
Base-Backbone interact. energy: -1.823
local terms energy: -58.546225
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -12.450
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -7.031
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: 10
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -92.863429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.863429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.863429 (E_RNA)
where:
Base-Base interactions energy: -39.182
where: short stacking energy: -38.442
Base-Backbone interact. energy: -0.219
local terms energy: -53.461734
where:
bonds (distance) C4'-P energy: -10.947
bonds (distance) P-C4' energy: -14.950
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: -3.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -82.472375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.472375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.472375 (E_RNA)
where:
Base-Base interactions energy: -30.005
where: short stacking energy: -29.736
Base-Backbone interact. energy: -0.128
local terms energy: -52.338827
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -11.031
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: 1.168
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: 9, replica: 6
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -90.153990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.153990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.153990 (E_RNA)
where:
Base-Base interactions energy: -44.232
where: short stacking energy: -26.267
Base-Backbone interact. energy: -0.940
local terms energy: -44.981446
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -10.587
flat angles P-C4'-P energy: -9.282
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: 10, replica: 4
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -81.659285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.659285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.659285 (E_RNA)
where:
Base-Base interactions energy: -30.132
where: short stacking energy: -29.478
Base-Backbone interact. energy: -0.033
local terms energy: -51.495092
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -8.525
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -5.592
tors. eta vs tors. theta energy: -9.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -231.609144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.609144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.609144 (E_RNA)
where:
Base-Base interactions energy: -154.170
where: short stacking energy: -73.984
Base-Backbone interact. energy: -0.239
local terms energy: -77.199963
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -15.845
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: -22.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -228.433808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.433808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.433808 (E_RNA)
where:
Base-Base interactions energy: -149.099
where: short stacking energy: -72.331
Base-Backbone interact. energy: -0.002
local terms energy: -79.332704
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -17.048
flat angles P-C4'-P energy: -9.220
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: 3, replica: 7
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -210.814888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.814888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.814888 (E_RNA)
where:
Base-Base interactions energy: -137.984
where: short stacking energy: -60.710
Base-Backbone interact. energy: -0.055
local terms energy: -72.776111
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -14.372
flat angles C4'-P-C4' energy: -13.107
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -16.736
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: 4, replica: 2
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -180.647128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.647128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.647128 (E_RNA)
where:
Base-Base interactions energy: -123.735
where: short stacking energy: -48.813
Base-Backbone interact. energy: -0.914
local terms energy: -55.998814
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -9.401
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -2.884
tors. eta vs tors. theta energy: -11.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -182.528391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.528391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.528391 (E_RNA)
where:
Base-Base interactions energy: -121.542
where: short stacking energy: -44.566
Base-Backbone interact. energy: -0.962
local terms energy: -60.024028
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -14.802
flat angles P-C4'-P energy: -7.521
tors. eta vs tors. theta energy: -8.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -147.514539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.514539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.514539 (E_RNA)
where:
Base-Base interactions energy: -97.704
where: short stacking energy: -44.059
Base-Backbone interact. energy: -0.426
local terms energy: -49.384302
where:
bonds (distance) C4'-P energy: -10.919
bonds (distance) P-C4' energy: -9.332
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -3.895
tors. eta vs tors. theta energy: -8.901
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: 7, replica: 10
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -97.695369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.695369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.695369 (E_RNA)
where:
Base-Base interactions energy: -34.822
where: short stacking energy: -34.822
Base-Backbone interact. energy: 1.541
local terms energy: -64.414429
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -18.118
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -11.684
tors. eta vs tors. theta energy: -8.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -110.061148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.061148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.061148 (E_RNA)
where:
Base-Base interactions energy: -67.709
where: short stacking energy: -30.655
Base-Backbone interact. energy: -0.385
local terms energy: -41.967110
where:
bonds (distance) C4'-P energy: -11.212
bonds (distance) P-C4' energy: -13.474
flat angles C4'-P-C4' energy: -9.022
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: 2.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -88.697342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.697342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.697342 (E_RNA)
where:
Base-Base interactions energy: -44.224
where: short stacking energy: -31.756
Base-Backbone interact. energy: -1.104
local terms energy: -43.369079
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -11.740
flat angles C4'-P-C4' energy: -8.445
flat angles P-C4'-P energy: -7.820
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: 4
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -89.173004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.173004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.173004 (E_RNA)
where:
Base-Base interactions energy: -30.751
where: short stacking energy: -30.335
Base-Backbone interact. energy: -0.438
local terms energy: -57.984658
where:
bonds (distance) C4'-P energy: -14.203
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -14.095
flat angles P-C4'-P energy: -7.931
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: 1
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -229.713801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.713801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.713801 (E_RNA)
where:
Base-Base interactions energy: -147.470
where: short stacking energy: -75.743
Base-Backbone interact. energy: 0.565
local terms energy: -82.808818
where:
bonds (distance) C4'-P energy: -17.191
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -13.731
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: 2, replica: 8
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -224.556488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.556488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.556488 (E_RNA)
where:
Base-Base interactions energy: -143.669
where: short stacking energy: -70.729
Base-Backbone interact. energy: -0.008
local terms energy: -80.879658
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -17.176
flat angles P-C4'-P energy: -14.913
tors. eta vs tors. theta energy: -20.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -209.997644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.997644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.997644 (E_RNA)
where:
Base-Base interactions energy: -132.879
where: short stacking energy: -60.362
Base-Backbone interact. energy: -0.515
local terms energy: -76.603343
where:
bonds (distance) C4'-P energy: -15.782
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -18.803
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: 4, replica: 2
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -173.975474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.975474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.975474 (E_RNA)
where:
Base-Base interactions energy: -111.080
where: short stacking energy: -55.149
Base-Backbone interact. energy: -0.191
local terms energy: -62.704063
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -12.506
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: 9
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -189.858151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.858151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.858151 (E_RNA)
where:
Base-Base interactions energy: -135.214
where: short stacking energy: -50.765
Base-Backbone interact. energy: -0.034
local terms energy: -54.610822
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -12.263
flat angles C4'-P-C4' energy: -11.726
flat angles P-C4'-P energy: -4.849
tors. eta vs tors. theta energy: -8.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -120.674527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.674527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.674527 (E_RNA)
where:
Base-Base interactions energy: -61.650
where: short stacking energy: -37.180
Base-Backbone interact. energy: -0.157
local terms energy: -58.866910
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -3.805
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: 98
Temperature: 1.200000
Total energy: -97.557659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.557659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.557659 (E_RNA)
where:
Base-Base interactions energy: -48.461
where: short stacking energy: -35.963
Base-Backbone interact. energy: 1.255
local terms energy: -50.351680
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -5.614
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -3.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -85.357012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.357012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.357012 (E_RNA)
where:
Base-Base interactions energy: -35.096
where: short stacking energy: -33.706
Base-Backbone interact. energy: 1.214
local terms energy: -51.475166
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -8.203
tors. eta vs tors. theta energy: -1.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -103.469644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.469644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.469644 (E_RNA)
where:
Base-Base interactions energy: -48.269
where: short stacking energy: -36.872
Base-Backbone interact. energy: -0.085
local terms energy: -55.115774
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -10.369
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -5.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -73.625185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.625185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.625185 (E_RNA)
where:
Base-Base interactions energy: -29.228
where: short stacking energy: -29.228
Base-Backbone interact. energy: -1.348
local terms energy: -43.049656
where:
bonds (distance) C4'-P energy: -12.271
bonds (distance) P-C4' energy: -12.311
flat angles C4'-P-C4' energy: -12.934
flat angles P-C4'-P energy: -7.658
tors. eta vs tors. theta energy: 2.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -230.313385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.313385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.313385 (E_RNA)
where:
Base-Base interactions energy: -153.011
where: short stacking energy: -77.565
Base-Backbone interact. energy: -0.004
local terms energy: -77.298599
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -10.901
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -13.061
tors. eta vs tors. theta energy: -22.265
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: 7
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -215.939044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.939044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.939044 (E_RNA)
where:
Base-Base interactions energy: -141.800
where: short stacking energy: -61.543
Base-Backbone interact. energy: -0.180
local terms energy: -73.959274
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -12.643
tors. eta vs tors. theta energy: -15.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -219.752692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.752692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.752692 (E_RNA)
where:
Base-Base interactions energy: -142.336
where: short stacking energy: -66.579
Base-Backbone interact. energy: -0.244
local terms energy: -77.172528
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -11.334
flat angles P-C4'-P energy: -13.575
tors. eta vs tors. theta energy: -21.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -195.977786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.977786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.977786 (E_RNA)
where:
Base-Base interactions energy: -130.651
where: short stacking energy: -61.874
Base-Backbone interact. energy: -0.017
local terms energy: -65.309283
where:
bonds (distance) C4'-P energy: -15.803
bonds (distance) P-C4' energy: -14.878
flat angles C4'-P-C4' energy: -12.537
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: -13.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -183.247379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.247379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.247379 (E_RNA)
where:
Base-Base interactions energy: -110.697
where: short stacking energy: -58.417
Base-Backbone interact. energy: -0.039
local terms energy: -72.511662
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -16.656
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: 6, replica: 3
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -103.825877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.825877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.825877 (E_RNA)
where:
Base-Base interactions energy: -44.530
where: short stacking energy: -43.789
Base-Backbone interact. energy: -0.001
local terms energy: -59.295345
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -11.444
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -9.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -92.026017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.026017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.026017 (E_RNA)
where:
Base-Base interactions energy: -42.583
where: short stacking energy: -32.484
Base-Backbone interact. energy: -0.125
local terms energy: -49.318282
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -9.950
flat angles C4'-P-C4' energy: -12.189
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -5.598
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: 10
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -77.449196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.449196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.449196 (E_RNA)
where:
Base-Base interactions energy: -28.372
where: short stacking energy: -23.994
Base-Backbone interact. energy: -0.544
local terms energy: -48.533746
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -1.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -86.807237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.807237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.807237 (E_RNA)
where:
Base-Base interactions energy: -30.591
where: short stacking energy: -30.591
Base-Backbone interact. energy: -0.178
local terms energy: -56.037970
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -13.988
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -2.869
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: 4
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -84.579044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.579044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.579044 (E_RNA)
where:
Base-Base interactions energy: -35.306
where: short stacking energy: -24.832
Base-Backbone interact. energy: -0.095
local terms energy: -49.178177
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -6.633
flat angles P-C4'-P energy: -11.826
tors. eta vs tors. theta energy: -0.688
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: 1
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -237.128520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.128520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.128520 (E_RNA)
where:
Base-Base interactions energy: -152.823
where: short stacking energy: -78.035
Base-Backbone interact. energy: -0.008
local terms energy: -84.297336
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -16.015
flat angles P-C4'-P energy: -14.009
tors. eta vs tors. theta energy: -21.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -225.909781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.909781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.909781 (E_RNA)
where:
Base-Base interactions energy: -145.385
where: short stacking energy: -65.546
Base-Backbone interact. energy: -0.518
local terms energy: -80.007323
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -18.485
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -17.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -228.649357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.649357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.649357 (E_RNA)
where:
Base-Base interactions energy: -149.803
where: short stacking energy: -76.475
Base-Backbone interact. energy: -0.009
local terms energy: -78.836949
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -17.215
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: -19.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -177.140751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.140751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.140751 (E_RNA)
where:
Base-Base interactions energy: -115.443
where: short stacking energy: -52.423
Base-Backbone interact. energy: -0.019
local terms energy: -61.679471
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -13.529
flat angles P-C4'-P energy: -6.176
tors. eta vs tors. theta energy: -13.218
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: 2
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -195.862020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.862020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.862020 (E_RNA)
where:
Base-Base interactions energy: -130.843
where: short stacking energy: -64.447
Base-Backbone interact. energy: -0.002
local terms energy: -65.017398
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -11.865
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -15.554
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: 6, replica: 3
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -83.554159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.554159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.554159 (E_RNA)
where:
Base-Base interactions energy: -27.471
where: short stacking energy: -23.981
Base-Backbone interact. energy: -0.182
local terms energy: -55.901997
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -11.862
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -3.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -99.033376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.033376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.033376 (E_RNA)
where:
Base-Base interactions energy: -42.362
where: short stacking energy: -36.896
Base-Backbone interact. energy: -1.829
local terms energy: -54.841895
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -11.077
flat angles P-C4'-P energy: -10.137
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: 8, replica: 5
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -85.620642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.620642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.620642 (E_RNA)
where:
Base-Base interactions energy: -27.704
where: short stacking energy: -26.647
Base-Backbone interact. energy: -0.057
local terms energy: -57.859772
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -16.711
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -4.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -92.589377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.589377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.589377 (E_RNA)
where:
Base-Base interactions energy: -52.474
where: short stacking energy: -38.268
Base-Backbone interact. energy: -0.609
local terms energy: -39.506059
where:
bonds (distance) C4'-P energy: -9.482
bonds (distance) P-C4' energy: -10.721
flat angles C4'-P-C4' energy: -5.673
flat angles P-C4'-P energy: -6.210
tors. eta vs tors. theta energy: -7.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -71.529791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.529791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.529791 (E_RNA)
where:
Base-Base interactions energy: -23.821
where: short stacking energy: -13.784
Base-Backbone interact. energy: -0.201
local terms energy: -47.507713
where:
bonds (distance) C4'-P energy: -10.024
bonds (distance) P-C4' energy: -13.601
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -4.308
tors. eta vs tors. theta energy: -2.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -232.588510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.588510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.588510 (E_RNA)
where:
Base-Base interactions energy: -157.101
where: short stacking energy: -81.676
Base-Backbone interact. energy: -0.414
local terms energy: -75.073422
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -20.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -223.180902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.180902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.180902 (E_RNA)
where:
Base-Base interactions energy: -146.240
where: short stacking energy: -76.862
Base-Backbone interact. energy: -0.072
local terms energy: -76.868535
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: -19.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -205.577676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.577676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.577676 (E_RNA)
where:
Base-Base interactions energy: -135.692
where: short stacking energy: -66.805
Base-Backbone interact. energy: -0.372
local terms energy: -69.513260
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -12.932
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -18.141
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: 2
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -200.245161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.245161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.245161 (E_RNA)
where:
Base-Base interactions energy: -137.010
where: short stacking energy: -68.949
Base-Backbone interact. energy: -0.568
local terms energy: -62.667458
where:
bonds (distance) C4'-P energy: -9.830
bonds (distance) P-C4' energy: -11.108
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -18.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -188.988713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.988713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.988713 (E_RNA)
where:
Base-Base interactions energy: -122.481
where: short stacking energy: -57.946
Base-Backbone interact. energy: -0.339
local terms energy: -66.169000
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -7.897
tors. eta vs tors. theta energy: -14.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -107.688582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.688582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.688582 (E_RNA)
where:
Base-Base interactions energy: -52.488
where: short stacking energy: -46.867
Base-Backbone interact. energy: -0.106
local terms energy: -55.094453
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -8.079
tors. eta vs tors. theta energy: -4.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -109.475336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.475336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.475336 (E_RNA)
where:
Base-Base interactions energy: -54.380
where: short stacking energy: -46.691
Base-Backbone interact. energy: -0.144
local terms energy: -54.951222
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -9.968
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -6.109
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: 8, replica: 4
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -108.197136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.197136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.197136 (E_RNA)
where:
Base-Base interactions energy: -55.185
where: short stacking energy: -39.965
Base-Backbone interact. energy: 0.436
local terms energy: -53.448197
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -13.888
flat angles C4'-P-C4' energy: -11.180
flat angles P-C4'-P energy: -6.958
tors. eta vs tors. theta energy: -8.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -85.720303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.720303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.720303 (E_RNA)
where:
Base-Base interactions energy: -34.934
where: short stacking energy: -34.934
Base-Backbone interact. energy: -0.041
local terms energy: -50.744664
where:
bonds (distance) C4'-P energy: -9.968
bonds (distance) P-C4' energy: -12.354
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -8.083
tors. eta vs tors. theta energy: -7.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -83.375152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.375152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.375152 (E_RNA)
where:
Base-Base interactions energy: -29.586
where: short stacking energy: -25.321
Base-Backbone interact. energy: -0.221
local terms energy: -53.567569
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -12.101
flat angles P-C4'-P energy: -6.602
tors. eta vs tors. theta energy: -6.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -218.889509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.889509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.889509 (E_RNA)
where:
Base-Base interactions energy: -146.492
where: short stacking energy: -64.704
Base-Backbone interact. energy: -0.000
local terms energy: -72.397282
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -21.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -218.398012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.398012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.398012 (E_RNA)
where:
Base-Base interactions energy: -150.181
where: short stacking energy: -60.555
Base-Backbone interact. energy: -0.245
local terms energy: -67.971394
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -9.730
tors. eta vs tors. theta energy: -14.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -211.403477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.403477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.403477 (E_RNA)
where:
Base-Base interactions energy: -137.318
where: short stacking energy: -64.024
Base-Backbone interact. energy: -0.462
local terms energy: -73.623387
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -11.929
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: 4, replica: 2
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -199.848443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.848443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.848443 (E_RNA)
where:
Base-Base interactions energy: -123.347
where: short stacking energy: -73.141
Base-Backbone interact. energy: -0.003
local terms energy: -76.497659
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -12.091
flat angles C4'-P-C4' energy: -18.044
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -22.592
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: 5, replica: 9
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -180.368805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.368805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.368805 (E_RNA)
where:
Base-Base interactions energy: -114.978
where: short stacking energy: -51.714
Base-Backbone interact. energy: -0.105
local terms energy: -65.285963
where:
bonds (distance) C4'-P energy: -14.515
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -14.022
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -12.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -104.236584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.236584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.236584 (E_RNA)
where:
Base-Base interactions energy: -51.457
where: short stacking energy: -24.264
Base-Backbone interact. energy: -0.038
local terms energy: -52.741603
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: 1.376
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: 102
Temperature: 1.200000
Total energy: -96.294171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.294171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.294171 (E_RNA)
where:
Base-Base interactions energy: -39.939
where: short stacking energy: -39.939
Base-Backbone interact. energy: -0.127
local terms energy: -56.227907
where:
bonds (distance) C4'-P energy: -10.575
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -9.681
tors. eta vs tors. theta energy: -5.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -87.896763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.896763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.896763 (E_RNA)
where:
Base-Base interactions energy: -32.941
where: short stacking energy: -32.941
Base-Backbone interact. energy: -0.217
local terms energy: -54.738684
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -12.210
flat angles C4'-P-C4' energy: -13.888
flat angles P-C4'-P energy: -11.366
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: 6
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -84.395454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.395454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.395454 (E_RNA)
where:
Base-Base interactions energy: -29.376
where: short stacking energy: -29.376
Base-Backbone interact. energy: -0.219
local terms energy: -54.800782
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -5.656
tors. eta vs tors. theta energy: -5.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -79.196755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.196755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.196755 (E_RNA)
where:
Base-Base interactions energy: -23.800
where: short stacking energy: -19.238
Base-Backbone interact. energy: -0.712
local terms energy: -54.685574
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -16.127
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: 0.945
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: 103
Temperature: 0.900000
Total energy: -239.016477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.016477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.016477 (E_RNA)
where:
Base-Base interactions energy: -157.682
where: short stacking energy: -78.297
Base-Backbone interact. energy: -0.002
local terms energy: -81.332529
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -18.242
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: -20.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -229.524911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.524911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.524911 (E_RNA)
where:
Base-Base interactions energy: -157.864
where: short stacking energy: -75.936
Base-Backbone interact. energy: -0.119
local terms energy: -71.541774
where:
bonds (distance) C4'-P energy: -9.484
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -17.244
flat angles P-C4'-P energy: -6.536
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: 3, replica: 7
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -218.309483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.309483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.309483 (E_RNA)
where:
Base-Base interactions energy: -146.285
where: short stacking energy: -59.690
Base-Backbone interact. energy: -1.134
local terms energy: -70.890352
where:
bonds (distance) C4'-P energy: -11.874
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -10.857
flat angles P-C4'-P energy: -14.561
tors. eta vs tors. theta energy: -15.445
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: 9
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -182.672110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.672110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.672110 (E_RNA)
where:
Base-Base interactions energy: -120.740
where: short stacking energy: -55.420
Base-Backbone interact. energy: 2.485
local terms energy: -64.417925
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -12.265
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -11.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -196.605408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.605408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.605408 (E_RNA)
where:
Base-Base interactions energy: -126.018
where: short stacking energy: -62.962
Base-Backbone interact. energy: -0.091
local terms energy: -70.496271
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -6.837
tors. eta vs tors. theta energy: -18.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -93.743243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.743243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.743243 (E_RNA)
where:
Base-Base interactions energy: -34.451
where: short stacking energy: -34.451
Base-Backbone interact. energy: -0.021
local terms energy: -59.270986
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -11.973
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -6.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -107.537835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.537835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.537835 (E_RNA)
where:
Base-Base interactions energy: -59.774
where: short stacking energy: -43.598
Base-Backbone interact. energy: -0.311
local terms energy: -47.452573
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -11.984
flat angles C4'-P-C4' energy: -12.037
flat angles P-C4'-P energy: -7.444
tors. eta vs tors. theta energy: -3.926
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: 3
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -79.703319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.703319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.703319 (E_RNA)
where:
Base-Base interactions energy: -29.954
where: short stacking energy: -28.314
Base-Backbone interact. energy: -1.099
local terms energy: -48.650636
where:
bonds (distance) C4'-P energy: -10.121
bonds (distance) P-C4' energy: -13.015
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -7.719
tors. eta vs tors. theta energy: -5.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -92.072037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.072037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.072037 (E_RNA)
where:
Base-Base interactions energy: -50.490
where: short stacking energy: -31.495
Base-Backbone interact. energy: -1.179
local terms energy: -40.402913
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -11.607
flat angles C4'-P-C4' energy: -6.594
flat angles P-C4'-P energy: -6.045
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: 10, replica: 5
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -97.069125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.069125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.069125 (E_RNA)
where:
Base-Base interactions energy: -39.088
where: short stacking energy: -25.671
Base-Backbone interact. energy: -0.047
local terms energy: -57.934360
where:
bonds (distance) C4'-P energy: -15.853
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -11.066
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -1.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -232.679704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.679704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.679704 (E_RNA)
where:
Base-Base interactions energy: -151.121
where: short stacking energy: -76.344
Base-Backbone interact. energy: -0.003
local terms energy: -81.555955
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -17.934
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -21.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -226.518306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.518306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.518306 (E_RNA)
where:
Base-Base interactions energy: -153.661
where: short stacking energy: -72.027
Base-Backbone interact. energy: -0.246
local terms energy: -72.611934
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -11.027
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -10.822
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: 3, replica: 9
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -182.546402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.546402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.546402 (E_RNA)
where:
Base-Base interactions energy: -119.153
where: short stacking energy: -58.148
Base-Backbone interact. energy: -0.054
local terms energy: -63.339042
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -15.774
flat angles C4'-P-C4' energy: -12.689
flat angles P-C4'-P energy: -5.675
tors. eta vs tors. theta energy: -13.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -214.510801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.510801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.510801 (E_RNA)
where:
Base-Base interactions energy: -145.910
where: short stacking energy: -59.926
Base-Backbone interact. energy: -1.393
local terms energy: -67.207914
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -13.165
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -15.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -196.220536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.220536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.220536 (E_RNA)
where:
Base-Base interactions energy: -131.346
where: short stacking energy: -57.216
Base-Backbone interact. energy: -0.216
local terms energy: -64.659023
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -11.726
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -16.976
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: 6, replica: 4
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -94.293053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.293053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.293053 (E_RNA)
where:
Base-Base interactions energy: -36.742
where: short stacking energy: -35.619
Base-Backbone interact. energy: -0.108
local terms energy: -57.442812
where:
bonds (distance) C4'-P energy: -9.781
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: -7.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -121.997792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.997792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.997792 (E_RNA)
where:
Base-Base interactions energy: -59.608
where: short stacking energy: -45.098
Base-Backbone interact. energy: -0.114
local terms energy: -62.275563
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -10.663
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -7.369
tors. eta vs tors. theta energy: -15.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -84.618112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.618112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.618112 (E_RNA)
where:
Base-Base interactions energy: -33.197
where: short stacking energy: -28.906
Base-Backbone interact. energy: -0.672
local terms energy: -50.749881
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -9.194
flat angles P-C4'-P energy: -7.987
tors. eta vs tors. theta energy: -7.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -83.750985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.750985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.750985 (E_RNA)
where:
Base-Base interactions energy: -38.691
where: short stacking energy: -29.315
Base-Backbone interact. energy: -0.134
local terms energy: -44.925391
where:
bonds (distance) C4'-P energy: -2.463
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -4.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -98.400932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.400932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.400932 (E_RNA)
where:
Base-Base interactions energy: -50.973
where: short stacking energy: -25.871
Base-Backbone interact. energy: -0.411
local terms energy: -47.016628
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -3.761
tors. eta vs tors. theta energy: 0.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -234.391988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.391988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.391988 (E_RNA)
where:
Base-Base interactions energy: -157.426
where: short stacking energy: -73.245
Base-Backbone interact. energy: -0.004
local terms energy: -76.962065
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -18.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -186.971841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.971841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.971841 (E_RNA)
where:
Base-Base interactions energy: -117.197
where: short stacking energy: -64.198
Base-Backbone interact. energy: -0.456
local terms energy: -69.318333
where:
bonds (distance) C4'-P energy: -16.666
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -7.642
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: 3, replica: 8
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -220.738998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.738998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.738998 (E_RNA)
where:
Base-Base interactions energy: -139.819
where: short stacking energy: -70.400
Base-Backbone interact. energy: -0.053
local terms energy: -80.866891
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -15.355
flat angles C4'-P-C4' energy: -17.846
flat angles P-C4'-P energy: -12.727
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: 4, replica: 2
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -192.375844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.375844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.375844 (E_RNA)
where:
Base-Base interactions energy: -125.637
where: short stacking energy: -50.309
Base-Backbone interact. energy: 0.025
local terms energy: -66.763885
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -7.398
tors. eta vs tors. theta energy: -15.980
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: 7
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -207.055367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.055367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.055367 (E_RNA)
where:
Base-Base interactions energy: -136.540
where: short stacking energy: -65.256
Base-Backbone interact. energy: -0.612
local terms energy: -69.903130
where:
bonds (distance) C4'-P energy: -10.722
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -14.435
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -19.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -119.344332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.344332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.344332 (E_RNA)
where:
Base-Base interactions energy: -69.026
where: short stacking energy: -40.474
Base-Backbone interact. energy: -0.844
local terms energy: -49.474311
where:
bonds (distance) C4'-P energy: -5.615
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -7.416
tors. eta vs tors. theta energy: -2.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -90.367467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.367467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.367467 (E_RNA)
where:
Base-Base interactions energy: -38.021
where: short stacking energy: -35.017
Base-Backbone interact. energy: -0.174
local terms energy: -52.172545
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -12.753
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -4.165
tors. eta vs tors. theta energy: -5.429
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: 6
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -96.091651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.091651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.091651 (E_RNA)
where:
Base-Base interactions energy: -40.127
where: short stacking energy: -38.549
Base-Backbone interact. energy: 0.827
local terms energy: -56.791374
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -5.237
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: 3
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -77.832967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.832967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.832967 (E_RNA)
where:
Base-Base interactions energy: -25.352
where: short stacking energy: -25.352
Base-Backbone interact. energy: -0.498
local terms energy: -51.982582
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -7.085
tors. eta vs tors. theta energy: -4.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -78.484180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.484180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.484180 (E_RNA)
where:
Base-Base interactions energy: -26.712
where: short stacking energy: -25.707
Base-Backbone interact. energy: -0.029
local terms energy: -51.742775
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -11.266
flat angles C4'-P-C4' energy: -12.759
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: -3.419
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: 1
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -230.590424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.590424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.590424 (E_RNA)
where:
Base-Base interactions energy: -148.536
where: short stacking energy: -69.289
Base-Backbone interact. energy: -0.130
local terms energy: -81.923899
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -9.788
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: 9
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -188.551403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.551403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.551403 (E_RNA)
where:
Base-Base interactions energy: -123.173
where: short stacking energy: -60.343
Base-Backbone interact. energy: -0.111
local terms energy: -65.267338
where:
bonds (distance) C4'-P energy: -10.141
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -11.182
tors. eta vs tors. theta energy: -12.924
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: 8
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -221.284004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.284004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.284004 (E_RNA)
where:
Base-Base interactions energy: -147.045
where: short stacking energy: -66.754
Base-Backbone interact. energy: -0.061
local terms energy: -74.178495
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -20.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -193.911575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.911575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.911575 (E_RNA)
where:
Base-Base interactions energy: -123.975
where: short stacking energy: -61.279
Base-Backbone interact. energy: -0.009
local terms energy: -69.927034
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -13.731
flat angles C4'-P-C4' energy: -17.848
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -16.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -201.518004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.518004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.518004 (E_RNA)
where:
Base-Base interactions energy: -131.102
where: short stacking energy: -56.161
Base-Backbone interact. energy: -0.421
local terms energy: -69.994957
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -12.610
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: 6, replica: 10
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -99.853153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.853153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.853153 (E_RNA)
where:
Base-Base interactions energy: -49.984
where: short stacking energy: -40.895
Base-Backbone interact. energy: -0.210
local terms energy: -49.659335
where:
bonds (distance) C4'-P energy: -8.991
bonds (distance) P-C4' energy: -12.482
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -1.383
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: 6
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -91.019417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.019417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.019417 (E_RNA)
where:
Base-Base interactions energy: -36.602
where: short stacking energy: -36.602
Base-Backbone interact. energy: -0.054
local terms energy: -54.363380
where:
bonds (distance) C4'-P energy: -12.441
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -17.073
flat angles P-C4'-P energy: -4.374
tors. eta vs tors. theta energy: -5.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -77.553670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.553670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.553670 (E_RNA)
where:
Base-Base interactions energy: -21.014
where: short stacking energy: -21.714
Base-Backbone interact. energy: -0.106
local terms energy: -56.433854
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -6.031
tors. eta vs tors. theta energy: -5.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -88.302315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.302315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.302315 (E_RNA)
where:
Base-Base interactions energy: -42.849
where: short stacking energy: -36.358
Base-Backbone interact. energy: -0.190
local terms energy: -45.263573
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -9.356
flat angles P-C4'-P energy: -2.751
tors. eta vs tors. theta energy: -4.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -83.268234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.268234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.268234 (E_RNA)
where:
Base-Base interactions energy: -37.918
where: short stacking energy: -34.759
Base-Backbone interact. energy: -0.064
local terms energy: -45.286198
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -11.684
flat angles C4'-P-C4' energy: -8.997
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: -2.278
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: 1, replica: 1
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -229.602084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.602084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.602084 (E_RNA)
where:
Base-Base interactions energy: -146.047
where: short stacking energy: -65.198
Base-Backbone interact. energy: -0.012
local terms energy: -83.543138
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -17.534
flat angles P-C4'-P energy: -12.642
tors. eta vs tors. theta energy: -20.538
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: 107
Temperature: 0.950000
Total energy: -231.683524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.683524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.683524 (E_RNA)
where:
Base-Base interactions energy: -154.145
where: short stacking energy: -69.947
Base-Backbone interact. energy: -0.005
local terms energy: -77.534186
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -9.897
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: 3, replica: 9
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -189.388716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.388716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.388716 (E_RNA)
where:
Base-Base interactions energy: -123.939
where: short stacking energy: -63.266
Base-Backbone interact. energy: -0.073
local terms energy: -65.376963
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -5.631
tors. eta vs tors. theta energy: -15.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -209.484112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.484112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.484112 (E_RNA)
where:
Base-Base interactions energy: -152.189
where: short stacking energy: -60.901
Base-Backbone interact. energy: -0.030
local terms energy: -57.264756
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -9.104
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -7.738
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: 5, replica: 2
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -200.172718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.172718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.172718 (E_RNA)
where:
Base-Base interactions energy: -131.676
where: short stacking energy: -60.836
Base-Backbone interact. energy: -0.292
local terms energy: -68.204456
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -9.922
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: -20.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -106.804721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.804721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.804721 (E_RNA)
where:
Base-Base interactions energy: -58.437
where: short stacking energy: -37.764
Base-Backbone interact. energy: -0.200
local terms energy: -48.167404
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -13.172
flat angles C4'-P-C4' energy: -7.537
flat angles P-C4'-P energy: -6.310
tors. eta vs tors. theta energy: -5.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -87.985063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.985063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.985063 (E_RNA)
where:
Base-Base interactions energy: -33.900
where: short stacking energy: -31.174
Base-Backbone interact. energy: -0.316
local terms energy: -53.768572
where:
bonds (distance) C4'-P energy: -15.155
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -12.216
flat angles P-C4'-P energy: -7.549
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: 8, replica: 5
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -85.231921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.231921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.231921 (E_RNA)
where:
Base-Base interactions energy: -29.410
where: short stacking energy: -29.410
Base-Backbone interact. energy: 1.289
local terms energy: -57.111624
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -12.999
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -4.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -94.329260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.329260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.329260 (E_RNA)
where:
Base-Base interactions energy: -38.028
where: short stacking energy: -37.327
Base-Backbone interact. energy: -0.051
local terms energy: -56.249961
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -9.601
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -7.276
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: 3
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -78.324171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.324171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.324171 (E_RNA)
where:
Base-Base interactions energy: -36.568
where: short stacking energy: -33.449
Base-Backbone interact. energy: -0.192
local terms energy: -41.563228
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -5.192
flat angles P-C4'-P energy: -3.823
tors. eta vs tors. theta energy: -4.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -226.558815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.558815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.558815 (E_RNA)
where:
Base-Base interactions energy: -147.066
where: short stacking energy: -67.227
Base-Backbone interact. energy: -0.003
local terms energy: -79.490195
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -9.954
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: 2, replica: 1
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -224.796596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.796596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.796596 (E_RNA)
where:
Base-Base interactions energy: -149.542
where: short stacking energy: -69.281
Base-Backbone interact. energy: -0.115
local terms energy: -75.140192
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -10.645
tors. eta vs tors. theta energy: -21.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -215.073841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.073841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.073841 (E_RNA)
where:
Base-Base interactions energy: -146.690
where: short stacking energy: -63.866
Base-Backbone interact. energy: -0.987
local terms energy: -67.396533
where:
bonds (distance) C4'-P energy: -9.211
bonds (distance) P-C4' energy: -12.248
flat angles C4'-P-C4' energy: -18.123
flat angles P-C4'-P energy: -12.529
tors. eta vs tors. theta energy: -15.286
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: 9
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -209.342085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.342085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.342085 (E_RNA)
where:
Base-Base interactions energy: -150.158
where: short stacking energy: -54.820
Base-Backbone interact. energy: -0.805
local terms energy: -58.378529
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -12.103
flat angles C4'-P-C4' energy: -18.096
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -6.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -190.861369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.861369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.861369 (E_RNA)
where:
Base-Base interactions energy: -128.261
where: short stacking energy: -63.157
Base-Backbone interact. energy: -0.652
local terms energy: -61.948104
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -13.541
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -4.618
tors. eta vs tors. theta energy: -14.535
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: 10
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -107.100307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.100307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.100307 (E_RNA)
where:
Base-Base interactions energy: -47.817
where: short stacking energy: -35.297
Base-Backbone interact. energy: -0.433
local terms energy: -58.850025
where:
bonds (distance) C4'-P energy: -17.157
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -12.882
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -3.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -94.193529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.193529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.193529 (E_RNA)
where:
Base-Base interactions energy: -35.897
where: short stacking energy: -34.464
Base-Backbone interact. energy: -0.238
local terms energy: -58.058668
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: -5.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -98.571735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.571735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.571735 (E_RNA)
where:
Base-Base interactions energy: -47.081
where: short stacking energy: -24.821
Base-Backbone interact. energy: -0.213
local terms energy: -51.277520
where:
bonds (distance) C4'-P energy: -9.892
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -2.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -77.613499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.613499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.613499 (E_RNA)
where:
Base-Base interactions energy: -28.229
where: short stacking energy: -25.449
Base-Backbone interact. energy: -0.157
local terms energy: -49.227572
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -7.310
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -2.584
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: 4
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -73.209009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.209009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.209009 (E_RNA)
where:
Base-Base interactions energy: -20.902
where: short stacking energy: -17.446
Base-Backbone interact. energy: -0.330
local terms energy: -51.976422
where:
bonds (distance) C4'-P energy: -13.604
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: 2.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -237.205239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.205239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.205239 (E_RNA)
where:
Base-Base interactions energy: -156.544
where: short stacking energy: -74.485
Base-Backbone interact. energy: -0.010
local terms energy: -80.650616
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -14.767
flat angles C4'-P-C4' energy: -16.387
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -22.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -228.774848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.774848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.774848 (E_RNA)
where:
Base-Base interactions energy: -155.174
where: short stacking energy: -75.095
Base-Backbone interact. energy: -0.058
local terms energy: -73.543532
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -10.706
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -11.871
tors. eta vs tors. theta energy: -20.115
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: 7
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -216.076562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.076562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.076562 (E_RNA)
where:
Base-Base interactions energy: -142.724
where: short stacking energy: -63.951
Base-Backbone interact. energy: -0.455
local terms energy: -72.897701
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -6.717
tors. eta vs tors. theta energy: -19.137
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: 9
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -201.841388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.841388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.841388 (E_RNA)
where:
Base-Base interactions energy: -142.742
where: short stacking energy: -49.342
Base-Backbone interact. energy: -0.480
local terms energy: -58.619013
where:
bonds (distance) C4'-P energy: -10.746
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -8.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -179.258284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.258284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.258284 (E_RNA)
where:
Base-Base interactions energy: -111.220
where: short stacking energy: -50.514
Base-Backbone interact. energy: -0.099
local terms energy: -67.939603
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -12.423
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: 5
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -99.045397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.045397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.045397 (E_RNA)
where:
Base-Base interactions energy: -47.232
where: short stacking energy: -43.775
Base-Backbone interact. energy: -0.192
local terms energy: -51.620787
where:
bonds (distance) C4'-P energy: -9.089
bonds (distance) P-C4' energy: -14.971
flat angles C4'-P-C4' energy: -12.154
flat angles P-C4'-P energy: -7.795
tors. eta vs tors. theta energy: -7.612
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: 10
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -87.422640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.422640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.422640 (E_RNA)
where:
Base-Base interactions energy: -39.053
where: short stacking energy: -26.411
Base-Backbone interact. energy: 1.910
local terms energy: -50.279623
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -13.503
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -1.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -90.244684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.244684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.244684 (E_RNA)
where:
Base-Base interactions energy: -42.317
where: short stacking energy: -42.317
Base-Backbone interact. energy: -0.556
local terms energy: -47.371629
where:
bonds (distance) C4'-P energy: -13.269
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -6.062
tors. eta vs tors. theta energy: -1.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -81.256163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.256163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.256163 (E_RNA)
where:
Base-Base interactions energy: -40.932
where: short stacking energy: -26.938
Base-Backbone interact. energy: -0.167
local terms energy: -40.157984
where:
bonds (distance) C4'-P energy: -14.946
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -6.711
flat angles P-C4'-P energy: -5.080
tors. eta vs tors. theta energy: 1.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -71.806689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.806689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.806689 (E_RNA)
where:
Base-Base interactions energy: -23.822
where: short stacking energy: -20.858
Base-Backbone interact. energy: -0.172
local terms energy: -47.812146
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -8.800
flat angles C4'-P-C4' energy: -10.314
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -4.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -231.178810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.178810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.178810 (E_RNA)
where:
Base-Base interactions energy: -147.908
where: short stacking energy: -73.483
Base-Backbone interact. energy: -0.063
local terms energy: -83.208216
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -11.264
tors. eta vs tors. theta energy: -20.399
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: 1
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -223.258475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.258475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.258475 (E_RNA)
where:
Base-Base interactions energy: -149.137
where: short stacking energy: -75.933
Base-Backbone interact. energy: -0.758
local terms energy: -73.363736
where:
bonds (distance) C4'-P energy: -10.543
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -11.103
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: 3, replica: 7
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -202.294064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.294064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.294064 (E_RNA)
where:
Base-Base interactions energy: -134.760
where: short stacking energy: -58.484
Base-Backbone interact. energy: -0.864
local terms energy: -66.670234
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -9.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -198.546773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.546773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.546773 (E_RNA)
where:
Base-Base interactions energy: -130.952
where: short stacking energy: -60.025
Base-Backbone interact. energy: -0.221
local terms energy: -67.373963
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -8.160
tors. eta vs tors. theta energy: -14.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -181.239014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.239014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.239014 (E_RNA)
where:
Base-Base interactions energy: -123.355
where: short stacking energy: -49.486
Base-Backbone interact. energy: -0.610
local terms energy: -57.273835
where:
bonds (distance) C4'-P energy: -10.269
bonds (distance) P-C4' energy: -17.500
flat angles C4'-P-C4' energy: -13.909
flat angles P-C4'-P energy: -11.989
tors. eta vs tors. theta energy: -3.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -117.853297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.853297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.853297 (E_RNA)
where:
Base-Base interactions energy: -71.323
where: short stacking energy: -24.440
Base-Backbone interact. energy: 0.691
local terms energy: -47.221446
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -10.792
flat angles P-C4'-P energy: -5.933
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: 7, replica: 10
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -84.150614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.150614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.150614 (E_RNA)
where:
Base-Base interactions energy: -35.721
where: short stacking energy: -26.930
Base-Backbone interact. energy: -0.381
local terms energy: -48.049028
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -10.202
flat angles P-C4'-P energy: -6.625
tors. eta vs tors. theta energy: -3.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -82.586459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.586459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.586459 (E_RNA)
where:
Base-Base interactions energy: -28.323
where: short stacking energy: -26.224
Base-Backbone interact. energy: -0.055
local terms energy: -54.208220
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: -0.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -79.802950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.802950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.802950 (E_RNA)
where:
Base-Base interactions energy: -28.307
where: short stacking energy: -28.307
Base-Backbone interact. energy: -0.300
local terms energy: -51.196178
where:
bonds (distance) C4'-P energy: -16.461
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -11.954
flat angles P-C4'-P energy: -4.879
tors. eta vs tors. theta energy: -3.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -74.682671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.682671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.682671 (E_RNA)
where:
Base-Base interactions energy: -38.404
where: short stacking energy: -26.245
Base-Backbone interact. energy: -0.363
local terms energy: -35.915949
where:
bonds (distance) C4'-P energy: -10.103
bonds (distance) P-C4' energy: -11.384
flat angles C4'-P-C4' energy: -9.469
flat angles P-C4'-P energy: -5.972
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: 1, replica: 8
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -229.489379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.489379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.489379 (E_RNA)
where:
Base-Base interactions energy: -156.037
where: short stacking energy: -74.283
Base-Backbone interact. energy: -0.169
local terms energy: -73.283327
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -16.169
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -9.110
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: 2, replica: 1
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -226.182511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.182511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.182511 (E_RNA)
where:
Base-Base interactions energy: -147.930
where: short stacking energy: -73.182
Base-Backbone interact. energy: -0.289
local terms energy: -77.963336
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -16.387
flat angles C4'-P-C4' energy: -16.069
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -21.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -200.832523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.832523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.832523 (E_RNA)
where:
Base-Base interactions energy: -127.859
where: short stacking energy: -52.399
Base-Backbone interact. energy: -0.251
local terms energy: -72.721961
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -14.639
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: 4, replica: 9
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -200.883665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.883665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.883665 (E_RNA)
where:
Base-Base interactions energy: -130.708
where: short stacking energy: -61.604
Base-Backbone interact. energy: -0.400
local terms energy: -69.775332
where:
bonds (distance) C4'-P energy: -16.960
bonds (distance) P-C4' energy: -13.411
flat angles C4'-P-C4' energy: -13.425
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -15.138
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: 2
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -179.358928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.358928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.358928 (E_RNA)
where:
Base-Base interactions energy: -120.947
where: short stacking energy: -61.295
Base-Backbone interact. energy: -0.090
local terms energy: -58.322401
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -9.683
flat angles P-C4'-P energy: -6.168
tors. eta vs tors. theta energy: -13.491
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: 10
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -107.201112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.201112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.201112 (E_RNA)
where:
Base-Base interactions energy: -50.923
where: short stacking energy: -46.511
Base-Backbone interact. energy: -1.435
local terms energy: -54.843645
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -15.227
flat angles C4'-P-C4' energy: -13.717
flat angles P-C4'-P energy: -6.394
tors. eta vs tors. theta energy: -7.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -113.527970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.527970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.527970 (E_RNA)
where:
Base-Base interactions energy: -61.556
where: short stacking energy: -36.492
Base-Backbone interact. energy: -0.181
local terms energy: -51.790936
where:
bonds (distance) C4'-P energy: -9.971
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -11.512
flat angles P-C4'-P energy: -6.847
tors. eta vs tors. theta energy: -8.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -107.742751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.742751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.742751 (E_RNA)
where:
Base-Base interactions energy: -43.471
where: short stacking energy: -38.120
Base-Backbone interact. energy: -0.201
local terms energy: -64.070769
where:
bonds (distance) C4'-P energy: -12.651
bonds (distance) P-C4' energy: -14.052
flat angles C4'-P-C4' energy: -13.106
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -14.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -80.448477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.448477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.448477 (E_RNA)
where:
Base-Base interactions energy: -30.883
where: short stacking energy: -26.818
Base-Backbone interact. energy: -0.020
local terms energy: -49.545694
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -2.294
tors. eta vs tors. theta energy: -8.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -72.386407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.386407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.386407 (E_RNA)
where:
Base-Base interactions energy: -19.320
where: short stacking energy: -15.562
Base-Backbone interact. energy: -0.108
local terms energy: -52.958465
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -16.031
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: 1.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -237.183208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.183208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.183208 (E_RNA)
where:
Base-Base interactions energy: -152.763
where: short stacking energy: -74.896
Base-Backbone interact. energy: -0.122
local terms energy: -84.297622
where:
bonds (distance) C4'-P energy: -14.890
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -16.461
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -23.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -231.801110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.801110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.801110 (E_RNA)
where:
Base-Base interactions energy: -152.529
where: short stacking energy: -75.798
Base-Backbone interact. energy: -0.304
local terms energy: -78.968478
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: -20.115
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: 9
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -202.755137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.755137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.755137 (E_RNA)
where:
Base-Base interactions energy: -136.483
where: short stacking energy: -58.574
Base-Backbone interact. energy: -0.205
local terms energy: -66.066667
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -9.326
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: 4, replica: 7
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -183.845184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.845184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.845184 (E_RNA)
where:
Base-Base interactions energy: -117.487
where: short stacking energy: -47.958
Base-Backbone interact. energy: -0.379
local terms energy: -65.978879
where:
bonds (distance) C4'-P energy: -10.981
bonds (distance) P-C4' energy: -16.162
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -14.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -185.008461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.008461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.008461 (E_RNA)
where:
Base-Base interactions energy: -122.719
where: short stacking energy: -51.863
Base-Backbone interact. energy: -0.135
local terms energy: -62.155106
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -16.610
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -7.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -104.377264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.377264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.377264 (E_RNA)
where:
Base-Base interactions energy: -53.268
where: short stacking energy: -45.278
Base-Backbone interact. energy: -0.237
local terms energy: -50.872296
where:
bonds (distance) C4'-P energy: -8.360
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -8.546
flat angles P-C4'-P energy: -7.179
tors. eta vs tors. theta energy: -10.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -103.048745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.048745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.048745 (E_RNA)
where:
Base-Base interactions energy: -42.204
where: short stacking energy: -42.204
Base-Backbone interact. energy: -0.150
local terms energy: -60.694022
where:
bonds (distance) C4'-P energy: -10.149
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -10.204
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: 5
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -92.038744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.038744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.038744 (E_RNA)
where:
Base-Base interactions energy: -42.026
where: short stacking energy: -35.835
Base-Backbone interact. energy: 3.292
local terms energy: -53.304397
where:
bonds (distance) C4'-P energy: -10.659
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -10.996
flat angles P-C4'-P energy: -10.798
tors. eta vs tors. theta energy: -3.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -80.526059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.526059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.526059 (E_RNA)
where:
Base-Base interactions energy: -25.226
where: short stacking energy: -24.436
Base-Backbone interact. energy: -0.908
local terms energy: -54.392049
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -10.964
flat angles P-C4'-P energy: -8.399
tors. eta vs tors. theta energy: -7.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -83.147728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.147728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.147728 (E_RNA)
where:
Base-Base interactions energy: -43.854
where: short stacking energy: -18.527
Base-Backbone interact. energy: -0.128
local terms energy: -39.166193
where:
bonds (distance) C4'-P energy: -9.974
bonds (distance) P-C4' energy: -9.596
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -10.288
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: 1, replica: 1
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -224.792798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.792798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.792798 (E_RNA)
where:
Base-Base interactions energy: -155.042
where: short stacking energy: -65.298
Base-Backbone interact. energy: -0.007
local terms energy: -69.744293
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -9.925
flat angles C4'-P-C4' energy: -16.896
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: -17.550
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: 9
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -193.714153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.714153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.714153 (E_RNA)
where:
Base-Base interactions energy: -123.918
where: short stacking energy: -60.793
Base-Backbone interact. energy: -0.156
local terms energy: -69.640506
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: -14.597
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: 8
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -226.165370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.165370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.165370 (E_RNA)
where:
Base-Base interactions energy: -152.999
where: short stacking energy: -78.355
Base-Backbone interact. energy: -0.003
local terms energy: -73.163567
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -12.157
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -12.566
tors. eta vs tors. theta energy: -21.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -194.937852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.937852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.937852 (E_RNA)
where:
Base-Base interactions energy: -123.394
where: short stacking energy: -51.812
Base-Backbone interact. energy: -0.005
local terms energy: -71.538384
where:
bonds (distance) C4'-P energy: -17.762
bonds (distance) P-C4' energy: -11.553
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -15.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -190.005092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.005092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.005092 (E_RNA)
where:
Base-Base interactions energy: -122.144
where: short stacking energy: -53.216
Base-Backbone interact. energy: -0.596
local terms energy: -67.265010
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -10.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -94.438700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.438700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.438700 (E_RNA)
where:
Base-Base interactions energy: -34.268
where: short stacking energy: -34.268
Base-Backbone interact. energy: -0.102
local terms energy: -60.069137
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -8.262
tors. eta vs tors. theta energy: -5.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -95.216181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.216181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.216181 (E_RNA)
where:
Base-Base interactions energy: -43.534
where: short stacking energy: -37.633
Base-Backbone interact. energy: -0.168
local terms energy: -51.513953
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -8.258
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -5.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -111.714682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.714682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.714682 (E_RNA)
where:
Base-Base interactions energy: -61.348
where: short stacking energy: -48.842
Base-Backbone interact. energy: -0.115
local terms energy: -50.251968
where:
bonds (distance) C4'-P energy: -11.185
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -10.745
flat angles P-C4'-P energy: -5.922
tors. eta vs tors. theta energy: -7.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -107.327796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.327796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.327796 (E_RNA)
where:
Base-Base interactions energy: -55.754
where: short stacking energy: -35.367
Base-Backbone interact. energy: -0.098
local terms energy: -51.476434
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -4.407
tors. eta vs tors. theta energy: -7.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -76.525087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.525087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.525087 (E_RNA)
where:
Base-Base interactions energy: -30.192
where: short stacking energy: -28.494
Base-Backbone interact. energy: -0.110
local terms energy: -46.222923
where:
bonds (distance) C4'-P energy: -7.642
bonds (distance) P-C4' energy: -9.268
flat angles C4'-P-C4' energy: -15.254
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -4.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -207.809192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.809192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.809192 (E_RNA)
where:
Base-Base interactions energy: -139.793
where: short stacking energy: -63.891
Base-Backbone interact. energy: -0.586
local terms energy: -67.430525
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -15.254
flat angles C4'-P-C4' energy: -12.314
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -15.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -223.155185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.155185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.155185 (E_RNA)
where:
Base-Base interactions energy: -150.233
where: short stacking energy: -71.468
Base-Backbone interact. energy: 0.725
local terms energy: -73.646698
where:
bonds (distance) C4'-P energy: -13.398
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -13.259
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: 8
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -229.462753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.462753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.462753 (E_RNA)
where:
Base-Base interactions energy: -152.723
where: short stacking energy: -74.245
Base-Backbone interact. energy: -0.575
local terms energy: -76.163836
where:
bonds (distance) C4'-P energy: -14.858
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -16.535
flat angles P-C4'-P energy: -9.019
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: 4, replica: 2
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -195.169110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.169110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.169110 (E_RNA)
where:
Base-Base interactions energy: -125.452
where: short stacking energy: -55.496
Base-Backbone interact. energy: -0.041
local terms energy: -69.676296
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -11.695
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -16.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -200.386200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.386200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.386200 (E_RNA)
where:
Base-Base interactions energy: -131.656
where: short stacking energy: -58.356
Base-Backbone interact. energy: -0.113
local terms energy: -68.616905
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -7.807
tors. eta vs tors. theta energy: -17.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -99.273299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.273299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.273299 (E_RNA)
where:
Base-Base interactions energy: -42.721
where: short stacking energy: -37.330
Base-Backbone interact. energy: -0.102
local terms energy: -56.450200
where:
bonds (distance) C4'-P energy: -11.809
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -11.447
flat angles P-C4'-P energy: -8.774
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: 7, replica: 10
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -99.309572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.309572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.309572 (E_RNA)
where:
Base-Base interactions energy: -42.425
where: short stacking energy: -41.418
Base-Backbone interact. energy: -0.254
local terms energy: -56.630951
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -7.777
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: -6.340
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: 3
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -92.794061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.794061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.794061 (E_RNA)
where:
Base-Base interactions energy: -45.102
where: short stacking energy: -19.867
Base-Backbone interact. energy: 3.881
local terms energy: -51.572853
where:
bonds (distance) C4'-P energy: -10.841
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: 0.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -83.891996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.891996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.891996 (E_RNA)
where:
Base-Base interactions energy: -33.654
where: short stacking energy: -33.654
Base-Backbone interact. energy: -0.066
local terms energy: -50.171333
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -12.670
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -3.727
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: 10, replica: 5
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -81.478582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.478582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.478582 (E_RNA)
where:
Base-Base interactions energy: -36.363
where: short stacking energy: -22.435
Base-Backbone interact. energy: -0.847
local terms energy: -44.268367
where:
bonds (distance) C4'-P energy: -10.171
bonds (distance) P-C4' energy: -11.071
flat angles C4'-P-C4' energy: -15.948
flat angles P-C4'-P energy: -8.492
tors. eta vs tors. theta energy: 1.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -211.742462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.742462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.742462 (E_RNA)
where:
Base-Base interactions energy: -134.142
where: short stacking energy: -56.788
Base-Backbone interact. energy: -0.006
local terms energy: -77.594353
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -12.241
tors. eta vs tors. theta energy: -16.617
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: 2, replica: 1
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -225.256670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.256670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.256670 (E_RNA)
where:
Base-Base interactions energy: -148.191
where: short stacking energy: -71.305
Base-Backbone interact. energy: -0.296
local terms energy: -76.769312
where:
bonds (distance) C4'-P energy: -10.550
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -17.249
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -20.285
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: 115
Temperature: 1.000000
Total energy: -214.943158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.943158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.943158 (E_RNA)
where:
Base-Base interactions energy: -142.206
where: short stacking energy: -70.390
Base-Backbone interact. energy: -0.855
local terms energy: -71.882171
where:
bonds (distance) C4'-P energy: -17.092
bonds (distance) P-C4' energy: -12.803
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -18.095
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: 4, replica: 7
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -208.634402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.634402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.634402 (E_RNA)
where:
Base-Base interactions energy: -142.532
where: short stacking energy: -57.161
Base-Backbone interact. energy: -0.338
local terms energy: -65.765096
where:
bonds (distance) C4'-P energy: -10.260
bonds (distance) P-C4' energy: -17.070
flat angles C4'-P-C4' energy: -16.964
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -11.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -204.640151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.640151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.640151 (E_RNA)
where:
Base-Base interactions energy: -142.486
where: short stacking energy: -64.858
Base-Backbone interact. energy: -0.069
local terms energy: -62.085073
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -12.891
flat angles C4'-P-C4' energy: -11.672
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -16.985
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: 6, replica: 10
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -119.661399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.661399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.661399 (E_RNA)
where:
Base-Base interactions energy: -60.672
where: short stacking energy: -47.450
Base-Backbone interact. energy: -0.839
local terms energy: -58.151282
where:
bonds (distance) C4'-P energy: -9.168
bonds (distance) P-C4' energy: -14.888
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -10.943
tors. eta vs tors. theta energy: -7.975
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: 4
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -88.265829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.265829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.265829 (E_RNA)
where:
Base-Base interactions energy: -41.088
where: short stacking energy: -30.663
Base-Backbone interact. energy: -0.190
local terms energy: -46.988255
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -16.966
flat angles C4'-P-C4' energy: -11.045
flat angles P-C4'-P energy: -5.980
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: 8, replica: 6
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -93.064856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.064856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.064856 (E_RNA)
where:
Base-Base interactions energy: -45.779
where: short stacking energy: -43.931
Base-Backbone interact. energy: -0.120
local terms energy: -47.166055
where:
bonds (distance) C4'-P energy: -10.423
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -11.219
flat angles P-C4'-P energy: -5.128
tors. eta vs tors. theta energy: -8.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -78.889579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.889579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.889579 (E_RNA)
where:
Base-Base interactions energy: -31.325
where: short stacking energy: -30.633
Base-Backbone interact. energy: -0.870
local terms energy: -46.694428
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -7.889
flat angles P-C4'-P energy: -6.967
tors. eta vs tors. theta energy: -2.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -79.255052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.255052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.255052 (E_RNA)
where:
Base-Base interactions energy: -31.504
where: short stacking energy: -31.504
Base-Backbone interact. energy: 0.666
local terms energy: -48.417059
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -12.522
flat angles C4'-P-C4' energy: -11.877
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -1.082
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: 1
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -231.186831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.186831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.186831 (E_RNA)
where:
Base-Base interactions energy: -152.300
where: short stacking energy: -73.735
Base-Backbone interact. energy: 0.064
local terms energy: -78.950791
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -13.264
tors. eta vs tors. theta energy: -21.234
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: 9
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -205.545867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.545867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.545867 (E_RNA)
where:
Base-Base interactions energy: -142.289
where: short stacking energy: -70.770
Base-Backbone interact. energy: -0.027
local terms energy: -63.229594
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -11.503
flat angles P-C4'-P energy: -8.029
tors. eta vs tors. theta energy: -15.282
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: 7
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -216.129195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.129195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.129195 (E_RNA)
where:
Base-Base interactions energy: -153.986
where: short stacking energy: -58.860
Base-Backbone interact. energy: -0.855
local terms energy: -61.288733
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -11.053
flat angles P-C4'-P energy: -7.734
tors. eta vs tors. theta energy: -13.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -214.835188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.835188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.835188 (E_RNA)
where:
Base-Base interactions energy: -152.346
where: short stacking energy: -64.066
Base-Backbone interact. energy: -0.037
local terms energy: -62.451953
where:
bonds (distance) C4'-P energy: -9.159
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -15.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -207.120202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.120202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.120202 (E_RNA)
where:
Base-Base interactions energy: -136.307
where: short stacking energy: -59.366
Base-Backbone interact. energy: -0.026
local terms energy: -70.787033
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -16.428
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: 10
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -99.966817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.966817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.966817 (E_RNA)
where:
Base-Base interactions energy: -45.262
where: short stacking energy: -29.509
Base-Backbone interact. energy: -0.029
local terms energy: -54.675434
where:
bonds (distance) C4'-P energy: -9.259
bonds (distance) P-C4' energy: -14.781
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -10.858
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: 7, replica: 6
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -89.098735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.098735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.098735 (E_RNA)
where:
Base-Base interactions energy: -33.096
where: short stacking energy: -32.766
Base-Backbone interact. energy: -0.106
local terms energy: -55.896609
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -9.457
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -8.841
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: 8, replica: 4
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -88.875928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.875928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.875928 (E_RNA)
where:
Base-Base interactions energy: -34.201
where: short stacking energy: -34.201
Base-Backbone interact. energy: -0.024
local terms energy: -54.651275
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -12.652
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -4.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -81.197224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.197224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.197224 (E_RNA)
where:
Base-Base interactions energy: -32.660
where: short stacking energy: -32.660
Base-Backbone interact. energy: -0.181
local terms energy: -48.356313
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -13.337
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: 1.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -74.789371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.789371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.789371 (E_RNA)
where:
Base-Base interactions energy: -25.184
where: short stacking energy: -24.542
Base-Backbone interact. energy: 0.358
local terms energy: -49.962812
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -12.168
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: -3.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -232.431310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.431310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.431310 (E_RNA)
where:
Base-Base interactions energy: -153.520
where: short stacking energy: -76.742
Base-Backbone interact. energy: -0.000
local terms energy: -78.910473
where:
bonds (distance) C4'-P energy: -11.022
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -13.435
tors. eta vs tors. theta energy: -19.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -224.372576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.372576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.372576 (E_RNA)
where:
Base-Base interactions energy: -152.092
where: short stacking energy: -66.243
Base-Backbone interact. energy: -0.225
local terms energy: -72.055529
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -5.495
tors. eta vs tors. theta energy: -18.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -198.169053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.169053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.169053 (E_RNA)
where:
Base-Base interactions energy: -127.511
where: short stacking energy: -69.394
Base-Backbone interact. energy: -0.020
local terms energy: -70.637689
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -18.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -206.992339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.992339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.992339 (E_RNA)
where:
Base-Base interactions energy: -138.675
where: short stacking energy: -58.796
Base-Backbone interact. energy: 0.066
local terms energy: -68.382835
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -9.876
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: 5, replica: 8
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -219.774096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.774096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.774096 (E_RNA)
where:
Base-Base interactions energy: -145.410
where: short stacking energy: -68.993
Base-Backbone interact. energy: -0.490
local terms energy: -73.873600
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -20.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -121.722871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.722871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.722871 (E_RNA)
where:
Base-Base interactions energy: -61.183
where: short stacking energy: -39.007
Base-Backbone interact. energy: -0.878
local terms energy: -59.662442
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -11.324
flat angles C4'-P-C4' energy: -16.900
flat angles P-C4'-P energy: -10.135
tors. eta vs tors. theta energy: -6.630
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: 10
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -99.668143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.668143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.668143 (E_RNA)
where:
Base-Base interactions energy: -47.935
where: short stacking energy: -30.788
Base-Backbone interact. energy: -0.326
local terms energy: -51.406960
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -12.153
flat angles P-C4'-P energy: -9.906
tors. eta vs tors. theta energy: -0.467
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: 8, replica: 5
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -97.392849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.392849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.392849 (E_RNA)
where:
Base-Base interactions energy: -38.907
where: short stacking energy: -35.336
Base-Backbone interact. energy: -0.071
local terms energy: -58.414882
where:
bonds (distance) C4'-P energy: -11.874
bonds (distance) P-C4' energy: -10.366
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -13.772
tors. eta vs tors. theta energy: -8.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -80.094500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.094500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.094500 (E_RNA)
where:
Base-Base interactions energy: -25.286
where: short stacking energy: -18.401
Base-Backbone interact. energy: -0.278
local terms energy: -54.531010
where:
bonds (distance) C4'-P energy: -15.565
bonds (distance) P-C4' energy: -12.630
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -9.918
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: 10, replica: 3
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -86.287371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.287371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.287371 (E_RNA)
where:
Base-Base interactions energy: -37.857
where: short stacking energy: -25.733
Base-Backbone interact. energy: -0.160
local terms energy: -48.270158
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -10.809
flat angles P-C4'-P energy: -7.292
tors. eta vs tors. theta energy: -2.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -223.897207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.897207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.897207 (E_RNA)
where:
Base-Base interactions energy: -150.105
where: short stacking energy: -64.836
Base-Backbone interact. energy: -0.445
local terms energy: -73.347169
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -15.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -219.548432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.548432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.548432 (E_RNA)
where:
Base-Base interactions energy: -144.367
where: short stacking energy: -67.943
Base-Backbone interact. energy: -0.001
local terms energy: -75.179997
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -16.103
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: 9
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -190.790195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.790195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.790195 (E_RNA)
where:
Base-Base interactions energy: -119.680
where: short stacking energy: -46.665
Base-Backbone interact. energy: -0.838
local terms energy: -70.272753
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -13.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -198.330205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.330205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.330205 (E_RNA)
where:
Base-Base interactions energy: -125.690
where: short stacking energy: -61.508
Base-Backbone interact. energy: -0.019
local terms energy: -72.621254
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -10.874
tors. eta vs tors. theta energy: -14.471
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: 5, replica: 8
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -220.716881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.716881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.716881 (E_RNA)
where:
Base-Base interactions energy: -148.610
where: short stacking energy: -71.529
Base-Backbone interact. energy: -0.164
local terms energy: -71.943630
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -8.644
tors. eta vs tors. theta energy: -21.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -117.929905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.929905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.929905 (E_RNA)
where:
Base-Base interactions energy: -64.130
where: short stacking energy: -41.725
Base-Backbone interact. energy: 1.763
local terms energy: -55.562593
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -15.916
flat angles C4'-P-C4' energy: -10.966
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -8.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -99.453852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.453852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.453852 (E_RNA)
where:
Base-Base interactions energy: -43.792
where: short stacking energy: -43.773
Base-Backbone interact. energy: -0.018
local terms energy: -55.643186
where:
bonds (distance) C4'-P energy: -9.159
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -10.875
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: 10
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -80.476248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.476248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.476248 (E_RNA)
where:
Base-Base interactions energy: -33.120
where: short stacking energy: -28.741
Base-Backbone interact. energy: -0.262
local terms energy: -47.094213
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -12.167
flat angles P-C4'-P energy: -3.440
tors. eta vs tors. theta energy: 0.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -81.195832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.195832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.195832 (E_RNA)
where:
Base-Base interactions energy: -29.945
where: short stacking energy: -27.759
Base-Backbone interact. energy: -0.045
local terms energy: -51.205986
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -9.791
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -4.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -82.538959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.538959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.538959 (E_RNA)
where:
Base-Base interactions energy: -35.413
where: short stacking energy: -35.413
Base-Backbone interact. energy: -0.180
local terms energy: -46.946406
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -8.337
flat angles C4'-P-C4' energy: -9.725
flat angles P-C4'-P energy: -4.698
tors. eta vs tors. theta energy: -9.319
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: 1, replica: 7
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -220.460143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.460143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.460143 (E_RNA)
where:
Base-Base interactions energy: -146.033
where: short stacking energy: -59.499
Base-Backbone interact. energy: -0.104
local terms energy: -74.323400
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -18.332
flat angles P-C4'-P energy: -10.180
tors. eta vs tors. theta energy: -15.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -231.080123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.080123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.080123 (E_RNA)
where:
Base-Base interactions energy: -149.546
where: short stacking energy: -66.863
Base-Backbone interact. energy: -0.239
local terms energy: -81.295297
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -17.288
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -12.285
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: 3, replica: 9
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -204.391761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.391761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.391761 (E_RNA)
where:
Base-Base interactions energy: -127.971
where: short stacking energy: -66.831
Base-Backbone interact. energy: -0.113
local terms energy: -76.307084
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -6.861
tors. eta vs tors. theta energy: -18.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -209.488764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.488764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.488764 (E_RNA)
where:
Base-Base interactions energy: -127.940
where: short stacking energy: -63.354
Base-Backbone interact. energy: -0.040
local terms energy: -81.508821
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -13.630
tors. eta vs tors. theta energy: -19.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -192.877982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.877982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.877982 (E_RNA)
where:
Base-Base interactions energy: -127.844
where: short stacking energy: -70.222
Base-Backbone interact. energy: -0.002
local terms energy: -65.032400
where:
bonds (distance) C4'-P energy: -9.609
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -18.501
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: 6
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -97.398923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.398923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.398923 (E_RNA)
where:
Base-Base interactions energy: -39.092
where: short stacking energy: -39.092
Base-Backbone interact. energy: -0.135
local terms energy: -58.171769
where:
bonds (distance) C4'-P energy: -8.333
bonds (distance) P-C4' energy: -12.944
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -10.281
tors. eta vs tors. theta energy: -10.590
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: 119
Temperature: 1.200000
Total energy: -89.537908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.537908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.537908 (E_RNA)
where:
Base-Base interactions energy: -39.346
where: short stacking energy: -38.908
Base-Backbone interact. energy: -0.237
local terms energy: -49.954191
where:
bonds (distance) C4'-P energy: -7.694
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -2.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -88.085426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.085426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.085426 (E_RNA)
where:
Base-Base interactions energy: -47.560
where: short stacking energy: -27.070
Base-Backbone interact. energy: -1.359
local terms energy: -39.165838
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -14.474
flat angles C4'-P-C4' energy: -4.497
flat angles P-C4'-P energy: -3.184
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: 9, replica: 10
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -83.526870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.526870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.526870 (E_RNA)
where:
Base-Base interactions energy: -32.837
where: short stacking energy: -23.021
Base-Backbone interact. energy: -0.084
local terms energy: -50.605793
where:
bonds (distance) C4'-P energy: -8.501
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -7.911
tors. eta vs tors. theta energy: -5.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -78.950335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.950335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.950335 (E_RNA)
where:
Base-Base interactions energy: -31.163
where: short stacking energy: -31.096
Base-Backbone interact. energy: 1.208
local terms energy: -48.995998
where:
bonds (distance) C4'-P energy: -7.333
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -12.763
flat angles P-C4'-P energy: -12.129
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: 1, replica: 1
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -225.664004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.664004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.664004 (E_RNA)
where:
Base-Base interactions energy: -148.276
where: short stacking energy: -69.790
Base-Backbone interact. energy: -0.157
local terms energy: -77.230712
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -20.448
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: 7
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -223.827260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.827260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.827260 (E_RNA)
where:
Base-Base interactions energy: -153.829
where: short stacking energy: -59.741
Base-Backbone interact. energy: -0.542
local terms energy: -69.455703
where:
bonds (distance) C4'-P energy: -14.435
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -11.942
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -15.188
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: 120
Temperature: 1.000000
Total energy: -220.026946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.026946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.026946 (E_RNA)
where:
Base-Base interactions energy: -138.880
where: short stacking energy: -69.665
Base-Backbone interact. energy: -0.095
local terms energy: -81.051977
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -8.361
tors. eta vs tors. theta energy: -22.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -185.534326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.534326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.534326 (E_RNA)
where:
Base-Base interactions energy: -127.340
where: short stacking energy: -68.815
Base-Backbone interact. energy: -0.004
local terms energy: -58.190088
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -11.452
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -6.554
tors. eta vs tors. theta energy: -16.028
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: 2
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -186.810376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.810376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.810376 (E_RNA)
where:
Base-Base interactions energy: -119.846
where: short stacking energy: -52.165
Base-Backbone interact. energy: 0.030
local terms energy: -66.994491
where:
bonds (distance) C4'-P energy: -17.622
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -11.002
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: 6
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -98.798819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.798819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.798819 (E_RNA)
where:
Base-Base interactions energy: -39.951
where: short stacking energy: -39.951
Base-Backbone interact. energy: -0.025
local terms energy: -58.823518
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -5.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -103.698955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.698955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.698955 (E_RNA)
where:
Base-Base interactions energy: -46.601
where: short stacking energy: -33.551
Base-Backbone interact. energy: 0.516
local terms energy: -57.613972
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -10.707
flat angles P-C4'-P energy: -13.087
tors. eta vs tors. theta energy: -4.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -86.971764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.971764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.971764 (E_RNA)
where:
Base-Base interactions energy: -32.240
where: short stacking energy: -32.240
Base-Backbone interact. energy: -0.120
local terms energy: -54.612270
where:
bonds (distance) C4'-P energy: -8.977
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -11.606
flat angles P-C4'-P energy: -7.652
tors. eta vs tors. theta energy: -9.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -84.085359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.085359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.085359 (E_RNA)
where:
Base-Base interactions energy: -32.054
where: short stacking energy: -29.440
Base-Backbone interact. energy: -0.184
local terms energy: -51.848063
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -8.597
flat angles C4'-P-C4' energy: -11.011
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -6.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -75.942284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.942284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.942284 (E_RNA)
where:
Base-Base interactions energy: -26.216
where: short stacking energy: -26.216
Base-Backbone interact. energy: -0.063
local terms energy: -49.663922
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -8.301
flat angles P-C4'-P energy: -12.916
tors. eta vs tors. theta energy: 0.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -230.406923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.406923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.406923 (E_RNA)
where:
Base-Base interactions energy: -152.547
where: short stacking energy: -71.989
Base-Backbone interact. energy: 1.306
local terms energy: -79.166398
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -19.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -227.192648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.192648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.192648 (E_RNA)
where:
Base-Base interactions energy: -146.488
where: short stacking energy: -68.670
Base-Backbone interact. energy: -0.024
local terms energy: -80.680710
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -19.848
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: 7
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -210.323545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.323545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.323545 (E_RNA)
where:
Base-Base interactions energy: -143.092
where: short stacking energy: -64.603
Base-Backbone interact. energy: -0.051
local terms energy: -67.180635
where:
bonds (distance) C4'-P energy: -10.513
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -19.591
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: 2
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -199.354087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.354087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.354087 (E_RNA)
where:
Base-Base interactions energy: -137.712
where: short stacking energy: -62.295
Base-Backbone interact. energy: -0.003
local terms energy: -61.638679
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -12.392
flat angles C4'-P-C4' energy: -12.675
flat angles P-C4'-P energy: -8.178
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: 5, replica: 9
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -179.601406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.601406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.601406 (E_RNA)
where:
Base-Base interactions energy: -118.473
where: short stacking energy: -58.532
Base-Backbone interact. energy: -0.052
local terms energy: -61.075718
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -11.780
flat angles C4'-P-C4' energy: -13.370
flat angles P-C4'-P energy: -7.819
tors. eta vs tors. theta energy: -15.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -102.186197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.186197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.186197 (E_RNA)
where:
Base-Base interactions energy: -46.066
where: short stacking energy: -31.379
Base-Backbone interact. energy: -0.826
local terms energy: -55.294959
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -12.205
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -6.256
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: 6
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -85.200509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.200509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.200509 (E_RNA)
where:
Base-Base interactions energy: -34.418
where: short stacking energy: -25.355
Base-Backbone interact. energy: 0.192
local terms energy: -50.974102
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -14.968
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -7.913
tors. eta vs tors. theta energy: -1.269
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: 8, replica: 5
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -94.589329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.589329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.589329 (E_RNA)
where:
Base-Base interactions energy: -47.233
where: short stacking energy: -40.196
Base-Backbone interact. energy: 0.319
local terms energy: -47.674432
where:
bonds (distance) C4'-P energy: -8.171
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -10.587
flat angles P-C4'-P energy: -8.720
tors. eta vs tors. theta energy: -3.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -78.212622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.212622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.212622 (E_RNA)
where:
Base-Base interactions energy: -27.411
where: short stacking energy: -27.076
Base-Backbone interact. energy: -0.042
local terms energy: -50.760174
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -10.476
flat angles P-C4'-P energy: -7.344
tors. eta vs tors. theta energy: -3.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -79.532993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.532993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.532993 (E_RNA)
where:
Base-Base interactions energy: -30.944
where: short stacking energy: -30.944
Base-Backbone interact. energy: -0.073
local terms energy: -48.515673
where:
bonds (distance) C4'-P energy: -7.574
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -16.144
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -3.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -237.879010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.879010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.879010 (E_RNA)
where:
Base-Base interactions energy: -153.304
where: short stacking energy: -79.632
Base-Backbone interact. energy: -0.013
local terms energy: -84.561482
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -18.667
flat angles P-C4'-P energy: -11.609
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: 2, replica: 8
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -223.195962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.195962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.195962 (E_RNA)
where:
Base-Base interactions energy: -149.794
where: short stacking energy: -71.381
Base-Backbone interact. energy: -0.018
local terms energy: -73.383469
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -8.435
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: 3, replica: 2
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -198.241305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.241305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.241305 (E_RNA)
where:
Base-Base interactions energy: -128.538
where: short stacking energy: -66.347
Base-Backbone interact. energy: -0.020
local terms energy: -69.682958
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -9.895
flat angles C4'-P-C4' energy: -17.965
flat angles P-C4'-P energy: -9.971
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: 4, replica: 7
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -207.327879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.327879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.327879 (E_RNA)
where:
Base-Base interactions energy: -154.422
where: short stacking energy: -59.965
Base-Backbone interact. energy: -0.093
local terms energy: -52.812679
where:
bonds (distance) C4'-P energy: -8.903
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: -10.093
flat angles P-C4'-P energy: -6.623
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: 5, replica: 9
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -174.202437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.202437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.202437 (E_RNA)
where:
Base-Base interactions energy: -113.828
where: short stacking energy: -54.037
Base-Backbone interact. energy: -0.020
local terms energy: -60.354551
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -6.180
tors. eta vs tors. theta energy: -13.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -108.331377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.331377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.331377 (E_RNA)
where:
Base-Base interactions energy: -45.378
where: short stacking energy: -40.979
Base-Backbone interact. energy: 0.518
local terms energy: -63.471022
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -14.291
flat angles C4'-P-C4' energy: -11.592
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -8.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -91.819089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.819089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.819089 (E_RNA)
where:
Base-Base interactions energy: -44.010
where: short stacking energy: -38.644
Base-Backbone interact. energy: -0.426
local terms energy: -47.382466
where:
bonds (distance) C4'-P energy: -4.283
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -5.711
tors. eta vs tors. theta energy: -10.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -93.848421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.848421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.848421 (E_RNA)
where:
Base-Base interactions energy: -36.428
where: short stacking energy: -31.955
Base-Backbone interact. energy: 0.592
local terms energy: -58.011728
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: -4.172
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: 10
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -77.323049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.323049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.323049 (E_RNA)
where:
Base-Base interactions energy: -24.469
where: short stacking energy: -22.255
Base-Backbone interact. energy: -0.261
local terms energy: -52.593633
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -15.971
flat angles C4'-P-C4' energy: -11.366
flat angles P-C4'-P energy: -6.244
tors. eta vs tors. theta energy: -5.895
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: 10, replica: 4
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -80.936614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.936614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.936614 (E_RNA)
where:
Base-Base interactions energy: -28.347
where: short stacking energy: -26.412
Base-Backbone interact. energy: -0.622
local terms energy: -51.967181
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -10.903
flat angles C4'-P-C4' energy: -11.641
flat angles P-C4'-P energy: -8.810
tors. eta vs tors. theta energy: -7.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -234.381630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.381630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.381630 (E_RNA)
where:
Base-Base interactions energy: -152.156
where: short stacking energy: -80.630
Base-Backbone interact. energy: -0.025
local terms energy: -82.201394
where:
bonds (distance) C4'-P energy: -15.735
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -17.403
flat angles P-C4'-P energy: -12.818
tors. eta vs tors. theta energy: -20.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -224.411541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.411541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.411541 (E_RNA)
where:
Base-Base interactions energy: -146.924
where: short stacking energy: -73.510
Base-Backbone interact. energy: -0.037
local terms energy: -77.451020
where:
bonds (distance) C4'-P energy: -12.179
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -18.263
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -20.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -204.210926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.210926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.210926 (E_RNA)
where:
Base-Base interactions energy: -137.336
where: short stacking energy: -63.826
Base-Backbone interact. energy: 0.080
local terms energy: -66.954278
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -11.506
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -7.691
tors. eta vs tors. theta energy: -17.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -196.486378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.486378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.486378 (E_RNA)
where:
Base-Base interactions energy: -128.913
where: short stacking energy: -52.399
Base-Backbone interact. energy: -0.121
local terms energy: -67.452354
where:
bonds (distance) C4'-P energy: -16.354
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -6.897
tors. eta vs tors. theta energy: -13.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -170.862448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.862448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.862448 (E_RNA)
where:
Base-Base interactions energy: -108.212
where: short stacking energy: -50.648
Base-Backbone interact. energy: -0.111
local terms energy: -62.540096
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -16.201
flat angles C4'-P-C4' energy: -13.661
flat angles P-C4'-P energy: -12.004
tors. eta vs tors. theta energy: -7.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -97.303194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.303194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.303194 (E_RNA)
where:
Base-Base interactions energy: -37.289
where: short stacking energy: -31.206
Base-Backbone interact. energy: 1.228
local terms energy: -61.242071
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: -4.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -104.076751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.076751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.076751 (E_RNA)
where:
Base-Base interactions energy: -56.376
where: short stacking energy: -38.798
Base-Backbone interact. energy: 1.933
local terms energy: -49.633954
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -15.392
flat angles C4'-P-C4' energy: -7.394
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -4.915
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: 10
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -87.924631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.924631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.924631 (E_RNA)
where:
Base-Base interactions energy: -31.513
where: short stacking energy: -25.594
Base-Backbone interact. energy: -0.081
local terms energy: -56.330359
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -17.605
flat angles C4'-P-C4' energy: -9.107
flat angles P-C4'-P energy: -7.895
tors. eta vs tors. theta energy: -10.254
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: 5
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -80.294436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.294436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.294436 (E_RNA)
where:
Base-Base interactions energy: -27.808
where: short stacking energy: -25.715
Base-Backbone interact. energy: 0.663
local terms energy: -53.149272
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -12.704
flat angles P-C4'-P energy: -7.198
tors. eta vs tors. theta energy: -3.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -89.070883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.070883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.070883 (E_RNA)
where:
Base-Base interactions energy: -46.586
where: short stacking energy: -24.203
Base-Backbone interact. energy: 0.692
local terms energy: -43.176796
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -10.246
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -2.418
tors. eta vs tors. theta energy: -4.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -229.442055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.442055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.442055 (E_RNA)
where:
Base-Base interactions energy: -150.774
where: short stacking energy: -73.925
Base-Backbone interact. energy: -0.103
local terms energy: -78.565523
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -14.943
flat angles C4'-P-C4' energy: -16.508
flat angles P-C4'-P energy: -10.680
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: 2, replica: 8
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -227.347756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.347756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.347756 (E_RNA)
where:
Base-Base interactions energy: -148.367
where: short stacking energy: -74.273
Base-Backbone interact. energy: 0.246
local terms energy: -79.226339
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -14.521
flat angles P-C4'-P energy: -13.102
tors. eta vs tors. theta energy: -21.188
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: 2
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -202.183689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.183689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.183689 (E_RNA)
where:
Base-Base interactions energy: -129.422
where: short stacking energy: -57.927
Base-Backbone interact. energy: -0.037
local terms energy: -72.724457
where:
bonds (distance) C4'-P energy: -17.618
bonds (distance) P-C4' energy: -15.855
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: -15.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -200.727258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.727258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.727258 (E_RNA)
where:
Base-Base interactions energy: -136.536
where: short stacking energy: -60.883
Base-Backbone interact. energy: -1.039
local terms energy: -63.152527
where:
bonds (distance) C4'-P energy: -10.143
bonds (distance) P-C4' energy: -17.482
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -7.584
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: 9
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -177.720532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.720532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.720532 (E_RNA)
where:
Base-Base interactions energy: -116.784
where: short stacking energy: -61.813
Base-Backbone interact. energy: 0.568
local terms energy: -61.504472
where:
bonds (distance) C4'-P energy: -7.664
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -12.772
flat angles P-C4'-P energy: -7.616
tors. eta vs tors. theta energy: -16.051
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: 3
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -89.178194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.178194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.178194 (E_RNA)
where:
Base-Base interactions energy: -36.638
where: short stacking energy: -25.812
Base-Backbone interact. energy: 0.145
local terms energy: -52.685434
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -11.243
flat angles C4'-P-C4' energy: -15.876
flat angles P-C4'-P energy: -10.511
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: 7, replica: 10
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -84.903956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.903956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.903956 (E_RNA)
where:
Base-Base interactions energy: -34.382
where: short stacking energy: -34.487
Base-Backbone interact. energy: -0.072
local terms energy: -50.449994
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -11.580
flat angles C4'-P-C4' energy: -15.254
flat angles P-C4'-P energy: -4.591
tors. eta vs tors. theta energy: -5.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -80.442169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.442169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.442169 (E_RNA)
where:
Base-Base interactions energy: -26.570
where: short stacking energy: -26.570
Base-Backbone interact. energy: -0.138
local terms energy: -53.734741
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -9.261
tors. eta vs tors. theta energy: -2.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -91.724847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.724847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.724847 (E_RNA)
where:
Base-Base interactions energy: -37.575
where: short stacking energy: -37.575
Base-Backbone interact. energy: -0.006
local terms energy: -54.144595
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -6.358
tors. eta vs tors. theta energy: -7.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -85.686574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.686574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.686574 (E_RNA)
where:
Base-Base interactions energy: -37.584
where: short stacking energy: -24.127
Base-Backbone interact. energy: -0.020
local terms energy: -48.083268
where:
bonds (distance) C4'-P energy: -6.940
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -15.369
flat angles P-C4'-P energy: -0.815
tors. eta vs tors. theta energy: -8.324
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: 1
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -214.477148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.477148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.477148 (E_RNA)
where:
Base-Base interactions energy: -136.844
where: short stacking energy: -73.936
Base-Backbone interact. energy: -0.000
local terms energy: -77.632507
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -20.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -227.098278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.098278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.098278 (E_RNA)
where:
Base-Base interactions energy: -152.054
where: short stacking energy: -73.088
Base-Backbone interact. energy: -0.000
local terms energy: -75.043707
where:
bonds (distance) C4'-P energy: -11.381
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -13.863
tors. eta vs tors. theta energy: -19.663
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: 125
Temperature: 1.000000
Total energy: -199.397781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.397781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.397781 (E_RNA)
where:
Base-Base interactions energy: -128.868
where: short stacking energy: -59.595
Base-Backbone interact. energy: -0.062
local terms energy: -70.468015
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -17.566
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -12.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -204.524828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.524828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.524828 (E_RNA)
where:
Base-Base interactions energy: -143.524
where: short stacking energy: -56.908
Base-Backbone interact. energy: 0.424
local terms energy: -61.424814
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -6.055
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: 5, replica: 9
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -181.873941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.873941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.873941 (E_RNA)
where:
Base-Base interactions energy: -119.072
where: short stacking energy: -49.340
Base-Backbone interact. energy: -0.152
local terms energy: -62.650003
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -15.254
flat angles P-C4'-P energy: -5.969
tors. eta vs tors. theta energy: -10.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -109.073732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.073732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.073732 (E_RNA)
where:
Base-Base interactions energy: -58.795
where: short stacking energy: -36.910
Base-Backbone interact. energy: -1.671
local terms energy: -48.607959
where:
bonds (distance) C4'-P energy: -9.975
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -10.024
flat angles P-C4'-P energy: -11.348
tors. eta vs tors. theta energy: -2.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -98.535202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.535202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.535202 (E_RNA)
where:
Base-Base interactions energy: -42.396
where: short stacking energy: -39.483
Base-Backbone interact. energy: -0.268
local terms energy: -55.870828
where:
bonds (distance) C4'-P energy: -12.986
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -5.485
tors. eta vs tors. theta energy: -6.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -108.687147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.687147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.687147 (E_RNA)
where:
Base-Base interactions energy: -57.058
where: short stacking energy: -28.735
Base-Backbone interact. energy: 0.124
local terms energy: -51.753361
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -12.079
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -2.814
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: 9, replica: 4
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -90.190384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.190384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.190384 (E_RNA)
where:
Base-Base interactions energy: -32.943
where: short stacking energy: -32.943
Base-Backbone interact. energy: -0.075
local terms energy: -57.172695
where:
bonds (distance) C4'-P energy: -8.910
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -7.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -77.185909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.185909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.185909 (E_RNA)
where:
Base-Base interactions energy: -34.996
where: short stacking energy: -32.736
Base-Backbone interact. energy: -0.255
local terms energy: -41.934233
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -13.089
flat angles C4'-P-C4' energy: -9.151
flat angles P-C4'-P energy: 2.139
tors. eta vs tors. theta energy: -5.731
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: 126
Temperature: 0.900000
Total energy: -236.365376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.365376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.365376 (E_RNA)
where:
Base-Base interactions energy: -154.216
where: short stacking energy: -72.119
Base-Backbone interact. energy: -0.014
local terms energy: -82.135711
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -13.135
tors. eta vs tors. theta energy: -21.376
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: 1
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -212.053913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.053913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.053913 (E_RNA)
where:
Base-Base interactions energy: -141.811
where: short stacking energy: -68.772
Base-Backbone interact. energy: -0.005
local terms energy: -70.238451
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -12.802
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -18.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -213.439139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.439139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.439139 (E_RNA)
where:
Base-Base interactions energy: -145.225
where: short stacking energy: -62.167
Base-Backbone interact. energy: -0.057
local terms energy: -68.157227
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -12.664
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -16.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -191.501495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.501495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.501495 (E_RNA)
where:
Base-Base interactions energy: -125.737
where: short stacking energy: -65.660
Base-Backbone interact. energy: -0.022
local terms energy: -65.742980
where:
bonds (distance) C4'-P energy: -11.695
bonds (distance) P-C4' energy: -13.549
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -9.124
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: 5, replica: 9
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -190.282596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.282596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.282596 (E_RNA)
where:
Base-Base interactions energy: -128.885
where: short stacking energy: -56.139
Base-Backbone interact. energy: -0.042
local terms energy: -61.355520
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -13.789
flat angles C4'-P-C4' energy: -12.798
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -12.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -110.462283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.462283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.462283 (E_RNA)
where:
Base-Base interactions energy: -53.596
where: short stacking energy: -40.424
Base-Backbone interact. energy: -0.059
local terms energy: -56.806852
where:
bonds (distance) C4'-P energy: -10.945
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -14.068
flat angles P-C4'-P energy: -5.088
tors. eta vs tors. theta energy: -9.432
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: 126
Temperature: 1.200000
Total energy: -93.115906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.115906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.115906 (E_RNA)
where:
Base-Base interactions energy: -39.347
where: short stacking energy: -38.189
Base-Backbone interact. energy: -0.056
local terms energy: -53.712938
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -9.309
flat angles P-C4'-P energy: -7.218
tors. eta vs tors. theta energy: -11.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -96.982711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.982711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.982711 (E_RNA)
where:
Base-Base interactions energy: -32.502
where: short stacking energy: -28.258
Base-Backbone interact. energy: -0.704
local terms energy: -63.776553
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -13.642
flat angles P-C4'-P energy: -12.535
tors. eta vs tors. theta energy: -4.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -90.206690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.206690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.206690 (E_RNA)
where:
Base-Base interactions energy: -37.563
where: short stacking energy: -37.563
Base-Backbone interact. energy: 0.357
local terms energy: -53.000454
where:
bonds (distance) C4'-P energy: -6.290
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -9.770
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: 10, replica: 4
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -69.295709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.295709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.295709 (E_RNA)
where:
Base-Base interactions energy: -25.140
where: short stacking energy: -25.140
Base-Backbone interact. energy: -1.067
local terms energy: -43.087894
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -8.975
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: 2.040
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: 8
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -231.406338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.406338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.406338 (E_RNA)
where:
Base-Base interactions energy: -150.937
where: short stacking energy: -71.957
Base-Backbone interact. energy: -0.001
local terms energy: -80.468455
where:
bonds (distance) C4'-P energy: -15.007
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -16.937
flat angles P-C4'-P energy: -9.131
tors. eta vs tors. theta energy: -21.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -226.947887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.947887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.947887 (E_RNA)
where:
Base-Base interactions energy: -157.042
where: short stacking energy: -65.853
Base-Backbone interact. energy: 1.568
local terms energy: -71.473287
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -6.592
tors. eta vs tors. theta energy: -18.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -219.890333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.890333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.890333 (E_RNA)
where:
Base-Base interactions energy: -144.006
where: short stacking energy: -74.425
Base-Backbone interact. energy: 0.487
local terms energy: -76.371744
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: -21.894
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: 127
Temperature: 1.050000
Total energy: -192.444742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.444742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.444742 (E_RNA)
where:
Base-Base interactions energy: -119.654
where: short stacking energy: -58.381
Base-Backbone interact. energy: -0.001
local terms energy: -72.789330
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -18.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -145.399915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.399915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.399915 (E_RNA)
where:
Base-Base interactions energy: -92.945
where: short stacking energy: -42.579
Base-Backbone interact. energy: -0.134
local terms energy: -52.320623
where:
bonds (distance) C4'-P energy: -11.771
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -5.380
tors. eta vs tors. theta energy: -7.281
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: 127
Temperature: 1.150000
Total energy: -94.670699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.670699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.670699 (E_RNA)
where:
Base-Base interactions energy: -33.899
where: short stacking energy: -33.899
Base-Backbone interact. energy: -0.162
local terms energy: -60.609899
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -4.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -101.819480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.819480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.819480 (E_RNA)
where:
Base-Base interactions energy: -51.729
where: short stacking energy: -40.796
Base-Backbone interact. energy: -0.085
local terms energy: -50.005444
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -10.879
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -7.820
tors. eta vs tors. theta energy: -5.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -94.629494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.629494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.629494 (E_RNA)
where:
Base-Base interactions energy: -44.279
where: short stacking energy: -30.858
Base-Backbone interact. energy: 0.172
local terms energy: -50.522564
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -4.851
tors. eta vs tors. theta energy: -2.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -99.871545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.871545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.871545 (E_RNA)
where:
Base-Base interactions energy: -50.973
where: short stacking energy: -35.343
Base-Backbone interact. energy: -1.295
local terms energy: -47.603915
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -10.677
flat angles C4'-P-C4' energy: -12.610
flat angles P-C4'-P energy: -6.294
tors. eta vs tors. theta energy: -2.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -80.908209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.908209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.908209 (E_RNA)
where:
Base-Base interactions energy: -29.360
where: short stacking energy: -21.089
Base-Backbone interact. energy: 1.097
local terms energy: -52.644887
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -9.880
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: -0.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -225.127541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.127541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.127541 (E_RNA)
where:
Base-Base interactions energy: -150.958
where: short stacking energy: -70.938
Base-Backbone interact. energy: -0.218
local terms energy: -73.951013
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -6.454
tors. eta vs tors. theta energy: -18.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -224.809478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.809478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.809478 (E_RNA)
where:
Base-Base interactions energy: -148.752
where: short stacking energy: -65.929
Base-Backbone interact. energy: -0.280
local terms energy: -75.778259
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -11.352
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -13.185
tors. eta vs tors. theta energy: -20.394
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: 1
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -225.396859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.396859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.396859 (E_RNA)
where:
Base-Base interactions energy: -146.851
where: short stacking energy: -67.098
Base-Backbone interact. energy: -0.004
local terms energy: -78.541882
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -16.960
flat angles P-C4'-P energy: -6.593
tors. eta vs tors. theta energy: -22.200
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: 128
Temperature: 1.050000
Total energy: -193.342692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.342692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.342692 (E_RNA)
where:
Base-Base interactions energy: -123.584
where: short stacking energy: -60.567
Base-Backbone interact. energy: -0.004
local terms energy: -69.755014
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -11.557
tors. eta vs tors. theta energy: -15.449
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: 9
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -183.352623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.352623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.352623 (E_RNA)
where:
Base-Base interactions energy: -112.361
where: short stacking energy: -53.546
Base-Backbone interact. energy: -0.240
local terms energy: -70.752061
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -13.441
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: 6
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -94.000131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.000131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.000131 (E_RNA)
where:
Base-Base interactions energy: -36.090
where: short stacking energy: -36.090
Base-Backbone interact. energy: -0.086
local terms energy: -57.823541
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -11.677
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -7.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -106.924494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.924494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.924494 (E_RNA)
where:
Base-Base interactions energy: -45.703
where: short stacking energy: -45.703
Base-Backbone interact. energy: -0.047
local terms energy: -61.174885
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -10.021
flat angles C4'-P-C4' energy: -17.155
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -9.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -95.783704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.783704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.783704 (E_RNA)
where:
Base-Base interactions energy: -41.419
where: short stacking energy: -35.922
Base-Backbone interact. energy: -0.129
local terms energy: -54.235217
where:
bonds (distance) C4'-P energy: -9.986
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -11.328
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -6.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -83.142138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.142138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.142138 (E_RNA)
where:
Base-Base interactions energy: -32.772
where: short stacking energy: -32.772
Base-Backbone interact. energy: -0.112
local terms energy: -50.258362
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -6.531
tors. eta vs tors. theta energy: -1.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -89.129361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.129361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.129361 (E_RNA)
where:
Base-Base interactions energy: -32.791
where: short stacking energy: -32.791
Base-Backbone interact. energy: -0.068
local terms energy: -56.270310
where:
bonds (distance) C4'-P energy: -10.173
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -6.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -220.996096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.996096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.996096 (E_RNA)
where:
Base-Base interactions energy: -153.389
where: short stacking energy: -59.246
Base-Backbone interact. energy: -1.276
local terms energy: -66.330679
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -8.142
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -15.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -226.030192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.030192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.030192 (E_RNA)
where:
Base-Base interactions energy: -154.112
where: short stacking energy: -64.676
Base-Backbone interact. energy: -0.353
local terms energy: -71.565358
where:
bonds (distance) C4'-P energy: -13.139
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -6.156
tors. eta vs tors. theta energy: -20.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -227.184841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.184841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.184841 (E_RNA)
where:
Base-Base interactions energy: -151.030
where: short stacking energy: -72.856
Base-Backbone interact. energy: -0.802
local terms energy: -75.352679
where:
bonds (distance) C4'-P energy: -11.216
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -13.229
tors. eta vs tors. theta energy: -21.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -177.197602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.197602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.197602 (E_RNA)
where:
Base-Base interactions energy: -116.571
where: short stacking energy: -53.429
Base-Backbone interact. energy: -0.191
local terms energy: -60.435601
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -12.364
flat angles C4'-P-C4' energy: -12.675
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -10.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -183.714474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.714474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.714474 (E_RNA)
where:
Base-Base interactions energy: -115.958
where: short stacking energy: -60.230
Base-Backbone interact. energy: 0.879
local terms energy: -68.635129
where:
bonds (distance) C4'-P energy: -9.928
bonds (distance) P-C4' energy: -15.890
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -12.846
tors. eta vs tors. theta energy: -15.212
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: 10
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -96.328353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.328353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.328353 (E_RNA)
where:
Base-Base interactions energy: -44.061
where: short stacking energy: -42.385
Base-Backbone interact. energy: -0.057
local terms energy: -52.210269
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -10.519
flat angles P-C4'-P energy: -10.910
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: 7, replica: 6
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -91.762754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.762754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.762754 (E_RNA)
where:
Base-Base interactions energy: -47.702
where: short stacking energy: -28.165
Base-Backbone interact. energy: -0.757
local terms energy: -43.303615
where:
bonds (distance) C4'-P energy: -10.045
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -8.819
tors. eta vs tors. theta energy: 2.521
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: 4
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -91.356039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.356039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.356039 (E_RNA)
where:
Base-Base interactions energy: -36.693
where: short stacking energy: -34.339
Base-Backbone interact. energy: -0.261
local terms energy: -54.401592
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -12.877
flat angles P-C4'-P energy: -5.410
tors. eta vs tors. theta energy: -5.605
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: 9, replica: 5
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -86.102934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.102934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.102934 (E_RNA)
where:
Base-Base interactions energy: -44.340
where: short stacking energy: -31.153
Base-Backbone interact. energy: -0.105
local terms energy: -41.657462
where:
bonds (distance) C4'-P energy: -6.205
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -7.676
flat angles P-C4'-P energy: -5.364
tors. eta vs tors. theta energy: -6.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -82.464680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.464680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.464680 (E_RNA)
where:
Base-Base interactions energy: -28.635
where: short stacking energy: -23.217
Base-Backbone interact. energy: -0.162
local terms energy: -53.667599
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -12.692
flat angles C4'-P-C4' energy: -8.369
flat angles P-C4'-P energy: -11.173
tors. eta vs tors. theta energy: -4.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -225.518181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.518181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.518181 (E_RNA)
where:
Base-Base interactions energy: -155.625
where: short stacking energy: -65.620
Base-Backbone interact. energy: -0.897
local terms energy: -68.996199
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -14.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -223.696383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.696383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.696383 (E_RNA)
where:
Base-Base interactions energy: -152.853
where: short stacking energy: -61.638
Base-Backbone interact. energy: -0.380
local terms energy: -70.463505
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -13.129
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -7.307
tors. eta vs tors. theta energy: -19.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -220.010834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.010834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.010834 (E_RNA)
where:
Base-Base interactions energy: -144.004
where: short stacking energy: -74.376
Base-Backbone interact. energy: -0.012
local terms energy: -75.995364
where:
bonds (distance) C4'-P energy: -16.798
bonds (distance) P-C4' energy: -10.626
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -22.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -181.793712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.793712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.793712 (E_RNA)
where:
Base-Base interactions energy: -115.896
where: short stacking energy: -56.568
Base-Backbone interact. energy: 0.145
local terms energy: -66.043104
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -10.865
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: 2
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -192.729879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.729879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.729879 (E_RNA)
where:
Base-Base interactions energy: -127.976
where: short stacking energy: -58.719
Base-Backbone interact. energy: -0.082
local terms energy: -64.672157
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -13.711
flat angles C4'-P-C4' energy: -12.832
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -15.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -99.926088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.926088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.926088 (E_RNA)
where:
Base-Base interactions energy: -41.381
where: short stacking energy: -41.381
Base-Backbone interact. energy: -0.012
local terms energy: -58.533734
where:
bonds (distance) C4'-P energy: -10.596
bonds (distance) P-C4' energy: -14.591
flat angles C4'-P-C4' energy: -9.522
flat angles P-C4'-P energy: -14.544
tors. eta vs tors. theta energy: -9.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -89.454528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.454528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.454528 (E_RNA)
where:
Base-Base interactions energy: -32.402
where: short stacking energy: -26.493
Base-Backbone interact. energy: -0.402
local terms energy: -56.650199
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -6.482
tors. eta vs tors. theta energy: -4.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -94.228528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.228528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.228528 (E_RNA)
where:
Base-Base interactions energy: -42.852
where: short stacking energy: -37.484
Base-Backbone interact. energy: -0.102
local terms energy: -51.274297
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -9.054
flat angles P-C4'-P energy: -8.070
tors. eta vs tors. theta energy: -5.595
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: 3
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -80.877583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.877583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.877583 (E_RNA)
where:
Base-Base interactions energy: -24.393
where: short stacking energy: -24.393
Base-Backbone interact. energy: -0.586
local terms energy: -55.898904
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -11.976
flat angles P-C4'-P energy: -9.524
tors. eta vs tors. theta energy: -4.324
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: 10, replica: 5
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -87.357494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.357494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.357494 (E_RNA)
where:
Base-Base interactions energy: -27.785
where: short stacking energy: -22.898
Base-Backbone interact. energy: -0.013
local terms energy: -59.559638
where:
bonds (distance) C4'-P energy: -16.480
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -7.319
tors. eta vs tors. theta energy: -6.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -216.755741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.755741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.755741 (E_RNA)
where:
Base-Base interactions energy: -146.302
where: short stacking energy: -56.881
Base-Backbone interact. energy: -0.883
local terms energy: -69.570576
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -10.906
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: 2, replica: 8
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -230.703246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.703246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.703246 (E_RNA)
where:
Base-Base interactions energy: -152.062
where: short stacking energy: -72.125
Base-Backbone interact. energy: -0.212
local terms energy: -78.429341
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -17.971
flat angles C4'-P-C4' energy: -17.421
flat angles P-C4'-P energy: -7.282
tors. eta vs tors. theta energy: -20.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -212.149531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.149531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.149531 (E_RNA)
where:
Base-Base interactions energy: -135.066
where: short stacking energy: -61.910
Base-Backbone interact. energy: -0.288
local terms energy: -76.794991
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -12.884
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: -21.293
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: 9
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -186.656910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.656910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.656910 (E_RNA)
where:
Base-Base interactions energy: -119.823
where: short stacking energy: -59.875
Base-Backbone interact. energy: -0.015
local terms energy: -66.819479
where:
bonds (distance) C4'-P energy: -9.518
bonds (distance) P-C4' energy: -16.601
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -8.683
tors. eta vs tors. theta energy: -17.914
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: 2
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -181.267063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.267063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.267063 (E_RNA)
where:
Base-Base interactions energy: -116.143
where: short stacking energy: -60.068
Base-Backbone interact. energy: -0.002
local terms energy: -65.122050
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -14.599
flat angles P-C4'-P energy: -8.413
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: 10
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -92.708632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.708632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.708632 (E_RNA)
where:
Base-Base interactions energy: -39.326
where: short stacking energy: -35.742
Base-Backbone interact. energy: -1.093
local terms energy: -52.289061
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -15.362
flat angles C4'-P-C4' energy: -10.582
flat angles P-C4'-P energy: -6.093
tors. eta vs tors. theta energy: -7.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -100.676643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.676643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.676643 (E_RNA)
where:
Base-Base interactions energy: -52.438
where: short stacking energy: -39.111
Base-Backbone interact. energy: 1.125
local terms energy: -49.363891
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -10.846
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -0.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -102.787774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.787774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.787774 (E_RNA)
where:
Base-Base interactions energy: -53.238
where: short stacking energy: -35.054
Base-Backbone interact. energy: -0.339
local terms energy: -49.210429
where:
bonds (distance) C4'-P energy: -15.957
bonds (distance) P-C4' energy: -11.864
flat angles C4'-P-C4' energy: -9.534
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -3.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -75.741205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.741205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.741205 (E_RNA)
where:
Base-Base interactions energy: -30.177
where: short stacking energy: -29.639
Base-Backbone interact. energy: -0.134
local terms energy: -45.430526
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -13.179
flat angles C4'-P-C4' energy: -8.369
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: -5.342
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: 10, replica: 5
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -84.916725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.916725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.916725 (E_RNA)
where:
Base-Base interactions energy: -28.140
where: short stacking energy: -25.368
Base-Backbone interact. energy: -0.214
local terms energy: -56.562112
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -5.973
tors. eta vs tors. theta energy: -5.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -229.940742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.940742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.940742 (E_RNA)
where:
Base-Base interactions energy: -150.181
where: short stacking energy: -71.604
Base-Backbone interact. energy: -0.649
local terms energy: -79.110705
where:
bonds (distance) C4'-P energy: -17.042
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -7.882
tors. eta vs tors. theta energy: -22.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -200.415907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.415907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.415907 (E_RNA)
where:
Base-Base interactions energy: -135.948
where: short stacking energy: -57.612
Base-Backbone interact. energy: -3.016
local terms energy: -61.451144
where:
bonds (distance) C4'-P energy: -12.864
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -12.017
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -11.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -190.698106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.698106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.698106 (E_RNA)
where:
Base-Base interactions energy: -133.279
where: short stacking energy: -61.647
Base-Backbone interact. energy: -0.016
local terms energy: -57.402852
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -10.290
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -11.840
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: 4, replica: 1
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -210.442822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.442822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.442822 (E_RNA)
where:
Base-Base interactions energy: -144.567
where: short stacking energy: -65.134
Base-Backbone interact. energy: -0.577
local terms energy: -65.299356
where:
bonds (distance) C4'-P energy: -11.297
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -8.594
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: 2
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -190.885781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.885781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.885781 (E_RNA)
where:
Base-Base interactions energy: -123.736
where: short stacking energy: -59.237
Base-Backbone interact. energy: -0.063
local terms energy: -67.086925
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -5.376
tors. eta vs tors. theta energy: -16.165
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: 132
Temperature: 1.150000
Total energy: -100.997024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.997024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.997024 (E_RNA)
where:
Base-Base interactions energy: -39.559
where: short stacking energy: -39.559
Base-Backbone interact. energy: -0.015
local terms energy: -61.422941
where:
bonds (distance) C4'-P energy: -10.406
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -7.193
tors. eta vs tors. theta energy: -12.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -98.538867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.538867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.538867 (E_RNA)
where:
Base-Base interactions energy: -55.377
where: short stacking energy: -28.239
Base-Backbone interact. energy: 0.595
local terms energy: -43.757680
where:
bonds (distance) C4'-P energy: -13.695
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -12.464
flat angles P-C4'-P energy: -4.535
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: 4
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -89.855401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.855401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.855401 (E_RNA)
where:
Base-Base interactions energy: -33.398
where: short stacking energy: -33.998
Base-Backbone interact. energy: -0.131
local terms energy: -56.326736
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -15.114
flat angles C4'-P-C4' energy: -11.113
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -6.740
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: 5
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -87.736487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.736487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.736487 (E_RNA)
where:
Base-Base interactions energy: -43.863
where: short stacking energy: -25.867
Base-Backbone interact. energy: 0.668
local terms energy: -44.541363
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -8.783
flat angles P-C4'-P energy: -6.539
tors. eta vs tors. theta energy: -1.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -80.222213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.222213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.222213 (E_RNA)
where:
Base-Base interactions energy: -26.993
where: short stacking energy: -25.810
Base-Backbone interact. energy: -0.205
local terms energy: -53.024515
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -12.871
tors. eta vs tors. theta energy: 0.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -224.196157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.196157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.196157 (E_RNA)
where:
Base-Base interactions energy: -152.258
where: short stacking energy: -68.051
Base-Backbone interact. energy: -0.020
local terms energy: -71.917233
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -15.077
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -7.672
tors. eta vs tors. theta energy: -20.109
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: 9
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -200.796555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.796555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.796555 (E_RNA)
where:
Base-Base interactions energy: -128.057
where: short stacking energy: -59.155
Base-Backbone interact. energy: -0.089
local terms energy: -72.650581
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -13.672
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -10.798
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: 7
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -199.536971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.536971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.536971 (E_RNA)
where:
Base-Base interactions energy: -124.912
where: short stacking energy: -63.613
Base-Backbone interact. energy: 0.175
local terms energy: -74.799675
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -21.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -189.612727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.612727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.612727 (E_RNA)
where:
Base-Base interactions energy: -125.320
where: short stacking energy: -62.537
Base-Backbone interact. energy: -0.005
local terms energy: -64.287580
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -13.196
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: 1
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -202.848525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.848525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.848525 (E_RNA)
where:
Base-Base interactions energy: -128.497
where: short stacking energy: -57.918
Base-Backbone interact. energy: -0.178
local terms energy: -74.173435
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -7.701
tors. eta vs tors. theta energy: -15.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -130.235745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.235745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.235745 (E_RNA)
where:
Base-Base interactions energy: -65.259
where: short stacking energy: -52.113
Base-Backbone interact. energy: -0.001
local terms energy: -64.975805
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -8.335
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: 7, replica: 10
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -86.982597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.982597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.982597 (E_RNA)
where:
Base-Base interactions energy: -33.055
where: short stacking energy: -33.055
Base-Backbone interact. energy: -0.346
local terms energy: -53.580754
where:
bonds (distance) C4'-P energy: -9.193
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -10.999
flat angles P-C4'-P energy: -14.044
tors. eta vs tors. theta energy: -5.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -93.203361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.203361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.203361 (E_RNA)
where:
Base-Base interactions energy: -47.199
where: short stacking energy: -42.111
Base-Backbone interact. energy: 0.087
local terms energy: -46.091799
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -6.650
flat angles C4'-P-C4' energy: -10.975
flat angles P-C4'-P energy: -7.417
tors. eta vs tors. theta energy: -7.933
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: 4
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -71.735168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.735168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.735168 (E_RNA)
where:
Base-Base interactions energy: -20.745
where: short stacking energy: -16.668
Base-Backbone interact. energy: -0.549
local terms energy: -50.441568
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -5.205
tors. eta vs tors. theta energy: 1.132
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: 6
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -75.527461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.527461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.527461 (E_RNA)
where:
Base-Base interactions energy: -22.676
where: short stacking energy: -22.676
Base-Backbone interact. energy: -0.066
local terms energy: -52.785328
where:
bonds (distance) C4'-P energy: -15.688
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -7.777
flat angles P-C4'-P energy: -9.204
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: 1, replica: 9
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -202.706981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.706981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.706981 (E_RNA)
where:
Base-Base interactions energy: -132.704
where: short stacking energy: -55.937
Base-Backbone interact. energy: -0.023
local terms energy: -69.979981
where:
bonds (distance) C4'-P energy: -16.820
bonds (distance) P-C4' energy: -17.120
flat angles C4'-P-C4' energy: -11.564
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -13.967
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: 2, replica: 8
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -225.853933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.853933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.853933 (E_RNA)
where:
Base-Base interactions energy: -146.019
where: short stacking energy: -70.892
Base-Backbone interact. energy: -0.000
local terms energy: -79.834204
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -14.941
flat angles C4'-P-C4' energy: -15.972
flat angles P-C4'-P energy: -13.712
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: 134
Temperature: 1.000000
Total energy: -219.023603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.023603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.023603 (E_RNA)
where:
Base-Base interactions energy: -148.785
where: short stacking energy: -58.217
Base-Backbone interact. energy: -0.446
local terms energy: -69.792878
where:
bonds (distance) C4'-P energy: -12.204
bonds (distance) P-C4' energy: -15.274
flat angles C4'-P-C4' energy: -16.384
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -15.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -203.176394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.176394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.176394 (E_RNA)
where:
Base-Base interactions energy: -127.958
where: short stacking energy: -59.903
Base-Backbone interact. energy: -0.709
local terms energy: -74.508976
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -12.836
tors. eta vs tors. theta energy: -17.264
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: 1
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -198.452750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.452750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.452750 (E_RNA)
where:
Base-Base interactions energy: -127.920
where: short stacking energy: -65.156
Base-Backbone interact. energy: -0.558
local terms energy: -69.975216
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -5.456
tors. eta vs tors. theta energy: -22.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -89.755684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.755684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.755684 (E_RNA)
where:
Base-Base interactions energy: -36.721
where: short stacking energy: -35.074
Base-Backbone interact. energy: -0.133
local terms energy: -52.901755
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -11.883
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -0.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -94.228981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.228981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.228981 (E_RNA)
where:
Base-Base interactions energy: -40.552
where: short stacking energy: -22.393
Base-Backbone interact. energy: -0.883
local terms energy: -52.793204
where:
bonds (distance) C4'-P energy: -9.583
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: -0.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -85.318995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.318995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.318995 (E_RNA)
where:
Base-Base interactions energy: -33.023
where: short stacking energy: -27.726
Base-Backbone interact. energy: -0.007
local terms energy: -52.288385
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -3.624
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: 9, replica: 6
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -76.358337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.358337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.358337 (E_RNA)
where:
Base-Base interactions energy: -32.305
where: short stacking energy: -20.407
Base-Backbone interact. energy: -0.258
local terms energy: -43.795046
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -7.085
flat angles P-C4'-P energy: -6.003
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: 10, replica: 4
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -74.487023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.487023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.487023 (E_RNA)
where:
Base-Base interactions energy: -31.242
where: short stacking energy: -30.415
Base-Backbone interact. energy: 0.080
local terms energy: -43.324931
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -1.350
tors. eta vs tors. theta energy: 1.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -209.862793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.862793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.862793 (E_RNA)
where:
Base-Base interactions energy: -132.443
where: short stacking energy: -69.115
Base-Backbone interact. energy: -0.067
local terms energy: -77.352782
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -17.921
flat angles P-C4'-P energy: -9.683
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: 135
Temperature: 0.950000
Total energy: -224.815833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.815833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.815833 (E_RNA)
where:
Base-Base interactions energy: -148.362
where: short stacking energy: -68.598
Base-Backbone interact. energy: -0.003
local terms energy: -76.450728
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -14.224
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -13.178
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: 3, replica: 2
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -197.831910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.831910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.831910 (E_RNA)
where:
Base-Base interactions energy: -127.391
where: short stacking energy: -66.684
Base-Backbone interact. energy: -0.229
local terms energy: -70.211416
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -12.980
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -6.480
tors. eta vs tors. theta energy: -18.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -203.105350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.105350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.105350 (E_RNA)
where:
Base-Base interactions energy: -125.074
where: short stacking energy: -67.500
Base-Backbone interact. energy: -0.113
local terms energy: -77.918350
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -20.782
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: 7
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -183.133574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.133574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.133574 (E_RNA)
where:
Base-Base interactions energy: -120.241
where: short stacking energy: -60.556
Base-Backbone interact. energy: -0.085
local terms energy: -62.807663
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -10.969
flat angles P-C4'-P energy: -6.349
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: 6, replica: 5
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -117.294773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.294773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.294773 (E_RNA)
where:
Base-Base interactions energy: -57.550
where: short stacking energy: -38.392
Base-Backbone interact. energy: -0.427
local terms energy: -59.317371
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -5.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -93.248547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.248547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.248547 (E_RNA)
where:
Base-Base interactions energy: -48.152
where: short stacking energy: -39.486
Base-Backbone interact. energy: -0.041
local terms energy: -45.055752
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -5.990
flat angles P-C4'-P energy: -0.724
tors. eta vs tors. theta energy: -6.556
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: 10
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -82.283715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.283715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.283715 (E_RNA)
where:
Base-Base interactions energy: -37.203
where: short stacking energy: -29.063
Base-Backbone interact. energy: -0.245
local terms energy: -44.835132
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -16.394
flat angles C4'-P-C4' energy: -11.687
flat angles P-C4'-P energy: -4.972
tors. eta vs tors. theta energy: 0.184
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: 9, replica: 6
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -85.877817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.877817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.877817 (E_RNA)
where:
Base-Base interactions energy: -35.506
where: short stacking energy: -35.506
Base-Backbone interact. energy: 1.438
local terms energy: -51.810399
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -4.167
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: 10, replica: 4
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -73.247803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.247803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.247803 (E_RNA)
where:
Base-Base interactions energy: -25.427
where: short stacking energy: -25.243
Base-Backbone interact. energy: -0.494
local terms energy: -47.327367
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -12.083
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -4.347
tors. eta vs tors. theta energy: -1.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -237.336728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.336728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.336728 (E_RNA)
where:
Base-Base interactions energy: -156.931
where: short stacking energy: -76.065
Base-Backbone interact. energy: -0.462
local terms energy: -79.943737
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -17.973
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -23.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -211.425941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.425941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.425941 (E_RNA)
where:
Base-Base interactions energy: -143.788
where: short stacking energy: -69.038
Base-Backbone interact. energy: 0.469
local terms energy: -68.106971
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -12.992
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: -18.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -214.918010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.918010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.918010 (E_RNA)
where:
Base-Base interactions energy: -138.568
where: short stacking energy: -65.517
Base-Backbone interact. energy: -0.036
local terms energy: -76.314066
where:
bonds (distance) C4'-P energy: -13.692
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -16.344
flat angles P-C4'-P energy: -10.360
tors. eta vs tors. theta energy: -20.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -196.595558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.595558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.595558 (E_RNA)
where:
Base-Base interactions energy: -131.587
where: short stacking energy: -64.189
Base-Backbone interact. energy: -0.048
local terms energy: -64.960204
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -7.132
tors. eta vs tors. theta energy: -16.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -173.923606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.923606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.923606 (E_RNA)
where:
Base-Base interactions energy: -109.651
where: short stacking energy: -44.776
Base-Backbone interact. energy: -0.631
local terms energy: -63.640680
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -17.408
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -8.328
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: 6, replica: 5
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -107.127182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.127182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.127182 (E_RNA)
where:
Base-Base interactions energy: -48.452
where: short stacking energy: -27.011
Base-Backbone interact. energy: 0.035
local terms energy: -58.709992
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -12.891
flat angles C4'-P-C4' energy: -9.947
flat angles P-C4'-P energy: -12.464
tors. eta vs tors. theta energy: -6.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -99.891962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.891962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.891962 (E_RNA)
where:
Base-Base interactions energy: -44.162
where: short stacking energy: -43.735
Base-Backbone interact. energy: -0.035
local terms energy: -55.695818
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -8.332
flat angles P-C4'-P energy: -4.100
tors. eta vs tors. theta energy: -12.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -94.441315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.441315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.441315 (E_RNA)
where:
Base-Base interactions energy: -47.635
where: short stacking energy: -23.285
Base-Backbone interact. energy: -0.256
local terms energy: -46.550505
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -12.242
flat angles C4'-P-C4' energy: -9.645
flat angles P-C4'-P energy: -11.556
tors. eta vs tors. theta energy: -1.815
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: 4
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -83.310575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.310575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.310575 (E_RNA)
where:
Base-Base interactions energy: -32.607
where: short stacking energy: -31.456
Base-Backbone interact. energy: -0.139
local terms energy: -50.564120
where:
bonds (distance) C4'-P energy: -8.016
bonds (distance) P-C4' energy: -16.725
flat angles C4'-P-C4' energy: -10.801
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: -5.006
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: 6
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -68.482552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.482552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.482552 (E_RNA)
where:
Base-Base interactions energy: -22.196
where: short stacking energy: -22.196
Base-Backbone interact. energy: -0.161
local terms energy: -46.125191
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -5.443
tors. eta vs tors. theta energy: 3.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -229.087346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.087346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.087346 (E_RNA)
where:
Base-Base interactions energy: -153.681
where: short stacking energy: -73.041
Base-Backbone interact. energy: -0.001
local terms energy: -75.405592
where:
bonds (distance) C4'-P energy: -16.776
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -13.896
flat angles P-C4'-P energy: -11.747
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: 2, replica: 1
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -220.126451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.126451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.126451 (E_RNA)
where:
Base-Base interactions energy: -144.580
where: short stacking energy: -71.366
Base-Backbone interact. energy: -0.083
local terms energy: -75.462755
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: -19.118
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: 9
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -196.395975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.395975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.395975 (E_RNA)
where:
Base-Base interactions energy: -123.508
where: short stacking energy: -62.324
Base-Backbone interact. energy: 0.078
local terms energy: -72.966033
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -8.026
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: 4, replica: 7
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -193.327501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.327501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.327501 (E_RNA)
where:
Base-Base interactions energy: -122.128
where: short stacking energy: -55.827
Base-Backbone interact. energy: -0.044
local terms energy: -71.156012
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -15.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -193.245727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.245727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.245727 (E_RNA)
where:
Base-Base interactions energy: -131.457
where: short stacking energy: -59.559
Base-Backbone interact. energy: -0.007
local terms energy: -61.781891
where:
bonds (distance) C4'-P energy: -10.751
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -12.940
flat angles P-C4'-P energy: -7.507
tors. eta vs tors. theta energy: -16.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -99.037765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.037765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.037765 (E_RNA)
where:
Base-Base interactions energy: -43.652
where: short stacking energy: -35.813
Base-Backbone interact. energy: 1.034
local terms energy: -56.419085
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -6.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -138.728141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.728141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.728141 (E_RNA)
where:
Base-Base interactions energy: -88.654
where: short stacking energy: -40.203
Base-Backbone interact. energy: 0.053
local terms energy: -50.127837
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -10.696
flat angles C4'-P-C4' energy: -11.796
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -4.653
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: 137
Temperature: 1.250000
Total energy: -90.868601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.868601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.868601 (E_RNA)
where:
Base-Base interactions energy: -29.475
where: short stacking energy: -29.475
Base-Backbone interact. energy: -0.025
local terms energy: -61.369302
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -11.945
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -8.891
tors. eta vs tors. theta energy: -8.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -80.126977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.126977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.126977 (E_RNA)
where:
Base-Base interactions energy: -23.434
where: short stacking energy: -20.860
Base-Backbone interact. energy: -0.494
local terms energy: -56.199172
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -9.808
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -3.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -75.127036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.127036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.127036 (E_RNA)
where:
Base-Base interactions energy: -37.284
where: short stacking energy: -35.570
Base-Backbone interact. energy: -0.086
local terms energy: -37.756472
where:
bonds (distance) C4'-P energy: -10.112
bonds (distance) P-C4' energy: -10.401
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -1.466
tors. eta vs tors. theta energy: -1.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -234.974727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.974727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.974727 (E_RNA)
where:
Base-Base interactions energy: -151.824
where: short stacking energy: -70.985
Base-Backbone interact. energy: -0.057
local terms energy: -83.093659
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -16.357
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -21.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -217.602534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.602534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.602534 (E_RNA)
where:
Base-Base interactions energy: -145.525
where: short stacking energy: -62.459
Base-Backbone interact. energy: -0.675
local terms energy: -71.401754
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -15.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -193.999948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.999948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.999948 (E_RNA)
where:
Base-Base interactions energy: -125.997
where: short stacking energy: -63.425
Base-Backbone interact. energy: -0.004
local terms energy: -67.999593
where:
bonds (distance) C4'-P energy: -17.596
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -13.277
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -13.820
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: 7
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -186.033937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.033937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.033937 (E_RNA)
where:
Base-Base interactions energy: -122.850
where: short stacking energy: -50.662
Base-Backbone interact. energy: -0.003
local terms energy: -63.181472
where:
bonds (distance) C4'-P energy: -11.879
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -13.405
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -12.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -191.847672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.847672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.847672 (E_RNA)
where:
Base-Base interactions energy: -121.947
where: short stacking energy: -65.837
Base-Backbone interact. energy: -0.001
local terms energy: -69.899709
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -9.105
flat angles P-C4'-P energy: -7.594
tors. eta vs tors. theta energy: -22.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -93.899937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.899937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.899937 (E_RNA)
where:
Base-Base interactions energy: -39.734
where: short stacking energy: -38.129
Base-Backbone interact. energy: 0.152
local terms energy: -54.318182
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -9.777
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -8.263
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: 5
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -139.231128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.231128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.231128 (E_RNA)
where:
Base-Base interactions energy: -86.272
where: short stacking energy: -39.685
Base-Backbone interact. energy: -0.010
local terms energy: -52.949262
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -4.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -92.227114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.227114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.227114 (E_RNA)
where:
Base-Base interactions energy: -49.302
where: short stacking energy: -28.615
Base-Backbone interact. energy: -0.323
local terms energy: -42.602532
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -7.991
flat angles C4'-P-C4' energy: -10.559
flat angles P-C4'-P energy: -4.511
tors. eta vs tors. theta energy: -5.291
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: 9, replica: 6
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -86.846648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.846648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.846648 (E_RNA)
where:
Base-Base interactions energy: -29.313
where: short stacking energy: -29.300
Base-Backbone interact. energy: -0.153
local terms energy: -57.380393
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -9.807
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -2.551
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: 10, replica: 3
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -81.461382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.461382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.461382 (E_RNA)
where:
Base-Base interactions energy: -38.343
where: short stacking energy: -31.847
Base-Backbone interact. energy: -0.114
local terms energy: -43.003783
where:
bonds (distance) C4'-P energy: -10.496
bonds (distance) P-C4' energy: -10.957
flat angles C4'-P-C4' energy: -12.058
flat angles P-C4'-P energy: -6.273
tors. eta vs tors. theta energy: -3.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -226.501192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.501192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.501192 (E_RNA)
where:
Base-Base interactions energy: -149.769
where: short stacking energy: -68.114
Base-Backbone interact. energy: -0.005
local terms energy: -76.726831
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -18.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -197.163531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.163531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.163531 (E_RNA)
where:
Base-Base interactions energy: -124.799
where: short stacking energy: -59.383
Base-Backbone interact. energy: -0.006
local terms energy: -72.357964
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -16.893
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: -13.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -213.668129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.668129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.668129 (E_RNA)
where:
Base-Base interactions energy: -147.617
where: short stacking energy: -63.821
Base-Backbone interact. energy: -0.282
local terms energy: -65.769744
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -10.680
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -10.645
tors. eta vs tors. theta energy: -19.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -193.752213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.752213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.752213 (E_RNA)
where:
Base-Base interactions energy: -124.109
where: short stacking energy: -61.144
Base-Backbone interact. energy: -0.003
local terms energy: -69.639819
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -16.549
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: 7
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -187.382357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.382357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.382357 (E_RNA)
where:
Base-Base interactions energy: -118.142
where: short stacking energy: -61.268
Base-Backbone interact. energy: -0.578
local terms energy: -68.662560
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -9.144
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: 5
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -103.281634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.281634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.281634 (E_RNA)
where:
Base-Base interactions energy: -43.421
where: short stacking energy: -43.421
Base-Backbone interact. energy: -0.001
local terms energy: -59.859682
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -11.935
flat angles C4'-P-C4' energy: -11.875
flat angles P-C4'-P energy: -6.224
tors. eta vs tors. theta energy: -15.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -90.642559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.642559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.642559 (E_RNA)
where:
Base-Base interactions energy: -39.739
where: short stacking energy: -34.092
Base-Backbone interact. energy: -0.544
local terms energy: -50.359657
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -10.221
flat angles P-C4'-P energy: -7.324
tors. eta vs tors. theta energy: -3.303
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: 139
Temperature: 1.250000
Total energy: -91.511528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.511528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.511528 (E_RNA)
where:
Base-Base interactions energy: -40.433
where: short stacking energy: -35.390
Base-Backbone interact. energy: -1.241
local terms energy: -49.837144
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -10.845
flat angles C4'-P-C4' energy: -14.760
flat angles P-C4'-P energy: -6.558
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: 9, replica: 4
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -84.930520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.930520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.930520 (E_RNA)
where:
Base-Base interactions energy: -35.405
where: short stacking energy: -25.396
Base-Backbone interact. energy: -0.149
local terms energy: -49.376485
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -12.984
flat angles P-C4'-P energy: -8.639
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: 3
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -88.036812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.036812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.036812 (E_RNA)
where:
Base-Base interactions energy: -33.678
where: short stacking energy: -33.678
Base-Backbone interact. energy: -0.315
local terms energy: -54.044487
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -10.246
flat angles C4'-P-C4' energy: -10.789
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -9.532
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: 9
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -199.277015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.277015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.277015 (E_RNA)
where:
Base-Base interactions energy: -127.203
where: short stacking energy: -67.641
Base-Backbone interact. energy: -0.145
local terms energy: -71.928705
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -16.990
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -16.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -223.472622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.472622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.472622 (E_RNA)
where:
Base-Base interactions energy: -143.484
where: short stacking energy: -68.424
Base-Backbone interact. energy: -0.425
local terms energy: -79.563422
where:
bonds (distance) C4'-P energy: -17.115
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -11.523
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: 3, replica: 1
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -213.268380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.268380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.268380 (E_RNA)
where:
Base-Base interactions energy: -138.361
where: short stacking energy: -68.890
Base-Backbone interact. energy: 0.129
local terms energy: -75.035952
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -16.753
flat angles C4'-P-C4' energy: -15.920
flat angles P-C4'-P energy: -12.823
tors. eta vs tors. theta energy: -16.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -191.144725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.144725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.144725 (E_RNA)
where:
Base-Base interactions energy: -125.438
where: short stacking energy: -56.272
Base-Backbone interact. energy: -0.126
local terms energy: -65.580421
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -9.943
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: 5, replica: 7
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -182.677329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.677329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.677329 (E_RNA)
where:
Base-Base interactions energy: -121.497
where: short stacking energy: -62.563
Base-Backbone interact. energy: -0.657
local terms energy: -60.523801
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -0.188
tors. eta vs tors. theta energy: -18.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -100.235185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.235185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.235185 (E_RNA)
where:
Base-Base interactions energy: -47.009
where: short stacking energy: -30.442
Base-Backbone interact. energy: 0.529
local terms energy: -53.755086
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -16.880
flat angles C4'-P-C4' energy: -11.013
flat angles P-C4'-P energy: -8.281
tors. eta vs tors. theta energy: -2.147
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: 6
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -97.400614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.400614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.400614 (E_RNA)
where:
Base-Base interactions energy: -43.060
where: short stacking energy: -43.060
Base-Backbone interact. energy: -0.083
local terms energy: -54.258273
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -6.376
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: 8, replica: 10
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -86.440842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.440842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.440842 (E_RNA)
where:
Base-Base interactions energy: -35.824
where: short stacking energy: -26.342
Base-Backbone interact. energy: -0.189
local terms energy: -50.428199
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -12.253
flat angles P-C4'-P energy: -8.657
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: 4
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -77.156126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.156126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.156126 (E_RNA)
where:
Base-Base interactions energy: -29.941
where: short stacking energy: -21.684
Base-Backbone interact. energy: -0.358
local terms energy: -46.857635
where:
bonds (distance) C4'-P energy: -11.011
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -11.331
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: 1.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -77.127248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.127248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.127248 (E_RNA)
where:
Base-Base interactions energy: -29.327
where: short stacking energy: -25.605
Base-Backbone interact. energy: 0.236
local terms energy: -48.036329
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -10.705
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -2.251
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: 1, replica: 9
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -205.757315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.757315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.757315 (E_RNA)
where:
Base-Base interactions energy: -131.642
where: short stacking energy: -62.776
Base-Backbone interact. energy: 0.145
local terms energy: -74.259509
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -16.875
flat angles P-C4'-P energy: -12.598
tors. eta vs tors. theta energy: -14.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -226.139187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.139187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.139187 (E_RNA)
where:
Base-Base interactions energy: -148.169
where: short stacking energy: -70.326
Base-Backbone interact. energy: -0.193
local terms energy: -77.776894
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -13.648
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: 3, replica: 8
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -201.488213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.488213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.488213 (E_RNA)
where:
Base-Base interactions energy: -129.924
where: short stacking energy: -68.453
Base-Backbone interact. energy: -0.164
local terms energy: -71.399970
where:
bonds (distance) C4'-P energy: -13.264
bonds (distance) P-C4' energy: -14.320
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -8.894
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: 4, replica: 7
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -190.375312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.375312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.375312 (E_RNA)
where:
Base-Base interactions energy: -121.774
where: short stacking energy: -58.816
Base-Backbone interact. energy: 0.315
local terms energy: -68.916454
where:
bonds (distance) C4'-P energy: -9.477
bonds (distance) P-C4' energy: -14.878
flat angles C4'-P-C4' energy: -16.359
flat angles P-C4'-P energy: -11.717
tors. eta vs tors. theta energy: -16.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -203.632985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.632985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.632985 (E_RNA)
where:
Base-Base interactions energy: -134.517
where: short stacking energy: -56.580
Base-Backbone interact. energy: 1.369
local terms energy: -70.484843
where:
bonds (distance) C4'-P energy: -16.728
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -5.624
tors. eta vs tors. theta energy: -18.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -117.796294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.796294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.796294 (E_RNA)
where:
Base-Base interactions energy: -55.462
where: short stacking energy: -45.510
Base-Backbone interact. energy: -0.089
local terms energy: -62.245015
where:
bonds (distance) C4'-P energy: -8.918
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -7.667
tors. eta vs tors. theta energy: -12.255
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: 5
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -96.073211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.073211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.073211 (E_RNA)
where:
Base-Base interactions energy: -40.940
where: short stacking energy: -40.417
Base-Backbone interact. energy: -0.289
local terms energy: -54.843825
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -14.503
flat angles C4'-P-C4' energy: -10.664
flat angles P-C4'-P energy: -7.933
tors. eta vs tors. theta energy: -7.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -80.112708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.112708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.112708 (E_RNA)
where:
Base-Base interactions energy: -27.536
where: short stacking energy: -23.896
Base-Backbone interact. energy: -0.119
local terms energy: -52.457350
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -7.946
tors. eta vs tors. theta energy: 0.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -76.045664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.045664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.045664 (E_RNA)
where:
Base-Base interactions energy: -26.398
where: short stacking energy: -27.398
Base-Backbone interact. energy: -0.166
local terms energy: -49.481981
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -13.877
flat angles C4'-P-C4' energy: -11.789
flat angles P-C4'-P energy: -7.885
tors. eta vs tors. theta energy: -0.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -82.485215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.485215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.485215 (E_RNA)
where:
Base-Base interactions energy: -33.225
where: short stacking energy: -29.043
Base-Backbone interact. energy: -0.121
local terms energy: -49.138816
where:
bonds (distance) C4'-P energy: -15.687
bonds (distance) P-C4' energy: -12.572
flat angles C4'-P-C4' energy: -10.045
flat angles P-C4'-P energy: -6.665
tors. eta vs tors. theta energy: -4.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -222.062216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.062216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.062216 (E_RNA)
where:
Base-Base interactions energy: -151.559
where: short stacking energy: -70.384
Base-Backbone interact. energy: -0.448
local terms energy: -70.055991
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -17.495
flat angles P-C4'-P energy: -8.391
tors. eta vs tors. theta energy: -16.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -188.929678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.929678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.929678 (E_RNA)
where:
Base-Base interactions energy: -121.814
where: short stacking energy: -55.371
Base-Backbone interact. energy: -0.001
local terms energy: -67.114704
where:
bonds (distance) C4'-P energy: -17.563
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -3.325
tors. eta vs tors. theta energy: -14.152
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: 3, replica: 7
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -201.996237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.996237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.996237 (E_RNA)
where:
Base-Base interactions energy: -128.566
where: short stacking energy: -68.178
Base-Backbone interact. energy: -0.000
local terms energy: -73.430180
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: -18.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -196.146663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.146663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.146663 (E_RNA)
where:
Base-Base interactions energy: -126.742
where: short stacking energy: -63.107
Base-Backbone interact. energy: -0.602
local terms energy: -68.802589
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -15.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -189.067331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.067331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.067331 (E_RNA)
where:
Base-Base interactions energy: -127.006
where: short stacking energy: -57.657
Base-Backbone interact. energy: -0.007
local terms energy: -62.054216
where:
bonds (distance) C4'-P energy: -10.281
bonds (distance) P-C4' energy: -12.324
flat angles C4'-P-C4' energy: -17.495
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: -13.301
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: 6
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -98.839549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.839549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.839549 (E_RNA)
where:
Base-Base interactions energy: -49.578
where: short stacking energy: -31.643
Base-Backbone interact. energy: -0.323
local terms energy: -48.938962
where:
bonds (distance) C4'-P energy: -7.072
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -9.521
flat angles P-C4'-P energy: -9.010
tors. eta vs tors. theta energy: -5.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -81.703405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.703405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.703405 (E_RNA)
where:
Base-Base interactions energy: -26.738
where: short stacking energy: -22.115
Base-Backbone interact. energy: -0.099
local terms energy: -54.866742
where:
bonds (distance) C4'-P energy: -17.000
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -9.442
flat angles P-C4'-P energy: -7.751
tors. eta vs tors. theta energy: -3.915
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: 142
Temperature: 1.250000
Total energy: -89.659597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.659597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.659597 (E_RNA)
where:
Base-Base interactions energy: -38.962
where: short stacking energy: -31.686
Base-Backbone interact. energy: -0.314
local terms energy: -50.383383
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -11.674
flat angles C4'-P-C4' energy: -11.638
flat angles P-C4'-P energy: -4.630
tors. eta vs tors. theta energy: -8.632
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: 3
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -84.115103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.115103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.115103 (E_RNA)
where:
Base-Base interactions energy: -31.191
where: short stacking energy: -27.772
Base-Backbone interact. energy: -0.357
local terms energy: -52.566972
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -14.369
flat angles C4'-P-C4' energy: -11.530
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -2.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -80.635035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.635035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.635035 (E_RNA)
where:
Base-Base interactions energy: -32.212
where: short stacking energy: -28.274
Base-Backbone interact. energy: -0.195
local terms energy: -48.228238
where:
bonds (distance) C4'-P energy: -7.002
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -10.811
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -5.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -223.253682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.253682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.253682 (E_RNA)
where:
Base-Base interactions energy: -143.556
where: short stacking energy: -63.319
Base-Backbone interact. energy: -0.000
local terms energy: -79.697538
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -10.487
tors. eta vs tors. theta energy: -20.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -194.087211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.087211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.087211 (E_RNA)
where:
Base-Base interactions energy: -124.648
where: short stacking energy: -60.059
Base-Backbone interact. energy: -0.030
local terms energy: -69.409178
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -16.316
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -14.299
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: 9
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -194.967973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.967973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.967973 (E_RNA)
where:
Base-Base interactions energy: -120.916
where: short stacking energy: -58.369
Base-Backbone interact. energy: -0.001
local terms energy: -74.051032
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -15.923
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -17.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -190.137375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.137375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.137375 (E_RNA)
where:
Base-Base interactions energy: -119.460
where: short stacking energy: -56.603
Base-Backbone interact. energy: -0.132
local terms energy: -70.544919
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -15.837
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -15.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -200.422245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.422245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.422245 (E_RNA)
where:
Base-Base interactions energy: -126.935
where: short stacking energy: -63.819
Base-Backbone interact. energy: -0.267
local terms energy: -73.220401
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -12.164
tors. eta vs tors. theta energy: -15.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -90.238899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.238899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.238899 (E_RNA)
where:
Base-Base interactions energy: -37.868
where: short stacking energy: -32.469
Base-Backbone interact. energy: -0.035
local terms energy: -52.335892
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -8.751
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -2.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -99.885319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.885319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.885319 (E_RNA)
where:
Base-Base interactions energy: -43.558
where: short stacking energy: -42.676
Base-Backbone interact. energy: -0.004
local terms energy: -56.323327
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -12.053
flat angles P-C4'-P energy: -3.613
tors. eta vs tors. theta energy: -13.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -92.653146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.653146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.653146 (E_RNA)
where:
Base-Base interactions energy: -40.882
where: short stacking energy: -31.858
Base-Backbone interact. energy: -0.156
local terms energy: -51.614994
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -10.007
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -8.349
tors. eta vs tors. theta energy: -4.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -88.713887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.713887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.713887 (E_RNA)
where:
Base-Base interactions energy: -40.480
where: short stacking energy: -16.729
Base-Backbone interact. energy: -0.461
local terms energy: -47.772746
where:
bonds (distance) C4'-P energy: -8.543
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -11.298
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: 10
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -76.624774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.624774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.624774 (E_RNA)
where:
Base-Base interactions energy: -32.558
where: short stacking energy: -32.215
Base-Backbone interact. energy: -0.208
local terms energy: -43.858918
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -13.922
flat angles C4'-P-C4' energy: -6.230
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: 0.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -209.396326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.396326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.396326 (E_RNA)
where:
Base-Base interactions energy: -134.168
where: short stacking energy: -70.566
Base-Backbone interact. energy: -0.002
local terms energy: -75.226481
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -12.507
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -18.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -219.258555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.258555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.258555 (E_RNA)
where:
Base-Base interactions energy: -143.748
where: short stacking energy: -65.373
Base-Backbone interact. energy: -0.061
local terms energy: -75.449055
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -19.395
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: 9
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -192.456605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.456605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.456605 (E_RNA)
where:
Base-Base interactions energy: -119.307
where: short stacking energy: -60.847
Base-Backbone interact. energy: -0.156
local terms energy: -72.993138
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -8.096
tors. eta vs tors. theta energy: -19.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -203.101897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.101897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.101897 (E_RNA)
where:
Base-Base interactions energy: -132.261
where: short stacking energy: -54.533
Base-Backbone interact. energy: -0.023
local terms energy: -70.818303
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -15.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -187.420449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.420449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.420449 (E_RNA)
where:
Base-Base interactions energy: -123.632
where: short stacking energy: -57.025
Base-Backbone interact. energy: -0.120
local terms energy: -63.669136
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -11.970
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -5.745
tors. eta vs tors. theta energy: -13.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -101.139232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.139232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.139232 (E_RNA)
where:
Base-Base interactions energy: -37.204
where: short stacking energy: -35.865
Base-Backbone interact. energy: -0.138
local terms energy: -63.796635
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -6.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -91.382411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.382411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.382411 (E_RNA)
where:
Base-Base interactions energy: -42.969
where: short stacking energy: -31.348
Base-Backbone interact. energy: -0.174
local terms energy: -48.239232
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -12.442
flat angles C4'-P-C4' energy: -10.710
flat angles P-C4'-P energy: -9.026
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: 8, replica: 6
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -81.316452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.316452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.316452 (E_RNA)
where:
Base-Base interactions energy: -24.043
where: short stacking energy: -18.208
Base-Backbone interact. energy: -0.231
local terms energy: -57.042723
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -5.827
tors. eta vs tors. theta energy: -2.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -80.654998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.654998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.654998 (E_RNA)
where:
Base-Base interactions energy: -27.209
where: short stacking energy: -27.209
Base-Backbone interact. energy: -0.036
local terms energy: -53.409497
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -12.253
flat angles P-C4'-P energy: -8.889
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: 10, replica: 5
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -82.324082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.324082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.324082 (E_RNA)
where:
Base-Base interactions energy: -41.371
where: short stacking energy: -21.522
Base-Backbone interact. energy: -0.107
local terms energy: -40.845825
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -10.535
flat angles C4'-P-C4' energy: -10.378
flat angles P-C4'-P energy: -5.965
tors. eta vs tors. theta energy: 0.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -207.433968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.433968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.433968 (E_RNA)
where:
Base-Base interactions energy: -125.341
where: short stacking energy: -64.305
Base-Backbone interact. energy: -0.003
local terms energy: -82.090058
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -21.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -222.144079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.144079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.144079 (E_RNA)
where:
Base-Base interactions energy: -152.167
where: short stacking energy: -72.808
Base-Backbone interact. energy: -0.059
local terms energy: -69.917959
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -11.149
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -7.606
tors. eta vs tors. theta energy: -19.734
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: 9
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -190.782705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.782705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.782705 (E_RNA)
where:
Base-Base interactions energy: -119.717
where: short stacking energy: -51.567
Base-Backbone interact. energy: -0.103
local terms energy: -70.962494
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -15.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -195.018422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.018422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.018422 (E_RNA)
where:
Base-Base interactions energy: -129.383
where: short stacking energy: -64.079
Base-Backbone interact. energy: -0.065
local terms energy: -65.571002
where:
bonds (distance) C4'-P energy: -10.994
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -8.445
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: 2
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -198.718970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.718970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.718970 (E_RNA)
where:
Base-Base interactions energy: -137.370
where: short stacking energy: -53.124
Base-Backbone interact. energy: -0.992
local terms energy: -60.356790
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -2.602
tors. eta vs tors. theta energy: -14.794
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: 145
Temperature: 1.150000
Total energy: -109.321579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.321579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.321579 (E_RNA)
where:
Base-Base interactions energy: -53.833
where: short stacking energy: -50.749
Base-Backbone interact. energy: 0.178
local terms energy: -55.666096
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -11.236
flat angles P-C4'-P energy: -4.173
tors. eta vs tors. theta energy: -11.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -92.908648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.908648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.908648 (E_RNA)
where:
Base-Base interactions energy: -35.864
where: short stacking energy: -35.864
Base-Backbone interact. energy: -0.004
local terms energy: -57.040731
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -5.178
tors. eta vs tors. theta energy: -5.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -91.135192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.135192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.135192 (E_RNA)
where:
Base-Base interactions energy: -36.324
where: short stacking energy: -36.624
Base-Backbone interact. energy: -0.100
local terms energy: -54.710551
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -11.515
flat angles P-C4'-P energy: -6.995
tors. eta vs tors. theta energy: -7.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -78.282093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.282093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.282093 (E_RNA)
where:
Base-Base interactions energy: -26.292
where: short stacking energy: -26.292
Base-Backbone interact. energy: -0.076
local terms energy: -51.913930
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: -6.555
tors. eta vs tors. theta energy: -3.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -70.163701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.163701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.163701 (E_RNA)
where:
Base-Base interactions energy: -24.396
where: short stacking energy: -24.157
Base-Backbone interact. energy: -0.398
local terms energy: -45.369841
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -18.930
flat angles C4'-P-C4' energy: -9.231
flat angles P-C4'-P energy: -5.923
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: 1
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -230.658900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.658900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.658900 (E_RNA)
where:
Base-Base interactions energy: -149.739
where: short stacking energy: -76.441
Base-Backbone interact. energy: -0.455
local terms energy: -80.465601
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -16.387
flat angles C4'-P-C4' energy: -16.504
flat angles P-C4'-P energy: -12.072
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: 2, replica: 7
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -205.731469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.731469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.731469 (E_RNA)
where:
Base-Base interactions energy: -125.387
where: short stacking energy: -64.222
Base-Backbone interact. energy: -0.010
local terms energy: -80.334094
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -17.192
flat angles C4'-P-C4' energy: -17.554
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -20.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -191.204807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.204807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.204807 (E_RNA)
where:
Base-Base interactions energy: -124.079
where: short stacking energy: -55.666
Base-Backbone interact. energy: -0.018
local terms energy: -67.108375
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -11.009
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: 4, replica: 8
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -184.486165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.486165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.486165 (E_RNA)
where:
Base-Base interactions energy: -123.593
where: short stacking energy: -53.598
Base-Backbone interact. energy: -0.426
local terms energy: -60.467023
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -12.906
flat angles C4'-P-C4' energy: -12.385
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: -9.499
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: 3
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -120.578115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.578115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.578115 (E_RNA)
where:
Base-Base interactions energy: -58.910
where: short stacking energy: -42.902
Base-Backbone interact. energy: -0.072
local terms energy: -61.595682
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -9.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -175.947130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.947130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.947130 (E_RNA)
where:
Base-Base interactions energy: -114.756
where: short stacking energy: -46.429
Base-Backbone interact. energy: -0.094
local terms energy: -61.097162
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -4.377
tors. eta vs tors. theta energy: -13.276
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: 7, replica: 10
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -100.558355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.558355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.558355 (E_RNA)
where:
Base-Base interactions energy: -47.400
where: short stacking energy: -44.236
Base-Backbone interact. energy: -0.021
local terms energy: -53.137011
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -14.366
flat angles C4'-P-C4' energy: -11.508
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: -4.944
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: 4
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -79.268615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.268615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.268615 (E_RNA)
where:
Base-Base interactions energy: -30.188
where: short stacking energy: -22.576
Base-Backbone interact. energy: -0.180
local terms energy: -48.901044
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -13.463
flat angles C4'-P-C4' energy: -13.309
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: 2.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -80.724445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.724445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.724445 (E_RNA)
where:
Base-Base interactions energy: -31.647
where: short stacking energy: -28.133
Base-Backbone interact. energy: -0.264
local terms energy: -48.813703
where:
bonds (distance) C4'-P energy: -10.947
bonds (distance) P-C4' energy: -14.121
flat angles C4'-P-C4' energy: -12.673
flat angles P-C4'-P energy: -6.942
tors. eta vs tors. theta energy: -4.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -76.583994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.583994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.583994 (E_RNA)
where:
Base-Base interactions energy: -36.640
where: short stacking energy: -25.354
Base-Backbone interact. energy: 0.169
local terms energy: -40.113009
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -2.930
tors. eta vs tors. theta energy: 1.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -228.423095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.423095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.423095 (E_RNA)
where:
Base-Base interactions energy: -156.437
where: short stacking energy: -65.901
Base-Backbone interact. energy: -0.007
local terms energy: -71.978667
where:
bonds (distance) C4'-P energy: -10.276
bonds (distance) P-C4' energy: -12.893
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -22.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -193.871859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.871859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.871859 (E_RNA)
where:
Base-Base interactions energy: -122.713
where: short stacking energy: -60.412
Base-Backbone interact. energy: -0.051
local terms energy: -71.107973
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -16.316
flat angles P-C4'-P energy: -9.169
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: 3, replica: 9
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -190.641665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.641665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.641665 (E_RNA)
where:
Base-Base interactions energy: -122.537
where: short stacking energy: -62.250
Base-Backbone interact. energy: -0.017
local terms energy: -68.087448
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -14.132
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -14.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -197.704166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.704166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.704166 (E_RNA)
where:
Base-Base interactions energy: -130.894
where: short stacking energy: -71.821
Base-Backbone interact. energy: -0.381
local terms energy: -66.429107
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -5.948
tors. eta vs tors. theta energy: -17.850
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: 5, replica: 3
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -117.984264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.984264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.984264 (E_RNA)
where:
Base-Base interactions energy: -56.746
where: short stacking energy: -50.991
Base-Backbone interact. energy: 0.369
local terms energy: -61.607736
where:
bonds (distance) C4'-P energy: -13.576
bonds (distance) P-C4' energy: -18.123
flat angles C4'-P-C4' energy: -11.773
flat angles P-C4'-P energy: -5.949
tors. eta vs tors. theta energy: -12.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -166.403806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.403806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.403806 (E_RNA)
where:
Base-Base interactions energy: -110.312
where: short stacking energy: -38.677
Base-Backbone interact. energy: 0.122
local terms energy: -56.213412
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -10.696
flat angles C4'-P-C4' energy: -16.696
flat angles P-C4'-P energy: -3.440
tors. eta vs tors. theta energy: -11.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -82.073896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.073896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.073896 (E_RNA)
where:
Base-Base interactions energy: -27.672
where: short stacking energy: -21.899
Base-Backbone interact. energy: -0.320
local terms energy: -54.081725
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -16.028
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -0.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -96.750167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.750167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.750167 (E_RNA)
where:
Base-Base interactions energy: -53.255
where: short stacking energy: -53.255
Base-Backbone interact. energy: -0.008
local terms energy: -43.486853
where:
bonds (distance) C4'-P energy: -8.439
bonds (distance) P-C4' energy: -7.412
flat angles C4'-P-C4' energy: -9.438
flat angles P-C4'-P energy: -7.111
tors. eta vs tors. theta energy: -11.086
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: 4
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -82.637248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.637248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.637248 (E_RNA)
where:
Base-Base interactions energy: -34.459
where: short stacking energy: -28.428
Base-Backbone interact. energy: -0.038
local terms energy: -48.140556
where:
bonds (distance) C4'-P energy: -12.974
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -2.213
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: 6
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -92.537916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.537916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.537916 (E_RNA)
where:
Base-Base interactions energy: -34.918
where: short stacking energy: -33.873
Base-Backbone interact. energy: 0.371
local terms energy: -57.991275
where:
bonds (distance) C4'-P energy: -9.260
bonds (distance) P-C4' energy: -13.189
flat angles C4'-P-C4' energy: -11.465
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -12.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -231.476102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.476102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.476102 (E_RNA)
where:
Base-Base interactions energy: -154.049
where: short stacking energy: -76.320
Base-Backbone interact. energy: -0.588
local terms energy: -76.838280
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -16.419
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -20.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -195.349801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.349801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.349801 (E_RNA)
where:
Base-Base interactions energy: -123.609
where: short stacking energy: -60.033
Base-Backbone interact. energy: -0.020
local terms energy: -71.721706
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -14.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -201.840668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.840668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.840668 (E_RNA)
where:
Base-Base interactions energy: -126.005
where: short stacking energy: -64.048
Base-Backbone interact. energy: 0.450
local terms energy: -76.285594
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -17.195
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -17.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -185.279551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.279551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.279551 (E_RNA)
where:
Base-Base interactions energy: -116.290
where: short stacking energy: -52.933
Base-Backbone interact. energy: -0.097
local terms energy: -68.892727
where:
bonds (distance) C4'-P energy: -14.768
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -12.010
flat angles P-C4'-P energy: -9.111
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: 5, replica: 2
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -198.192680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.192680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.192680 (E_RNA)
where:
Base-Base interactions energy: -140.366
where: short stacking energy: -43.025
Base-Backbone interact. energy: -0.068
local terms energy: -57.759066
where:
bonds (distance) C4'-P energy: -13.675
bonds (distance) P-C4' energy: -12.601
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -6.020
tors. eta vs tors. theta energy: -11.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -96.144190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.144190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.144190 (E_RNA)
where:
Base-Base interactions energy: -36.146
where: short stacking energy: -25.903
Base-Backbone interact. energy: -0.289
local terms energy: -59.708789
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -8.135
tors. eta vs tors. theta energy: -4.510
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: 7, replica: 5
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -91.984937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.984937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.984937 (E_RNA)
where:
Base-Base interactions energy: -32.189
where: short stacking energy: -29.568
Base-Backbone interact. energy: -0.052
local terms energy: -59.744609
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: -7.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -85.795541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.795541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.795541 (E_RNA)
where:
Base-Base interactions energy: -40.061
where: short stacking energy: -27.608
Base-Backbone interact. energy: 0.167
local terms energy: -45.901274
where:
bonds (distance) C4'-P energy: -6.984
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -10.080
flat angles P-C4'-P energy: -7.884
tors. eta vs tors. theta energy: -3.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -78.073923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.073923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.073923 (E_RNA)
where:
Base-Base interactions energy: -29.817
where: short stacking energy: -28.911
Base-Backbone interact. energy: -0.092
local terms energy: -48.164299
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -11.452
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -7.434
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: 10, replica: 4
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -89.997579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.997579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.997579 (E_RNA)
where:
Base-Base interactions energy: -43.528
where: short stacking energy: -24.185
Base-Backbone interact. energy: -0.551
local terms energy: -45.918488
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -6.050
flat angles P-C4'-P energy: -7.982
tors. eta vs tors. theta energy: -2.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -228.035839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.035839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.035839 (E_RNA)
where:
Base-Base interactions energy: -147.934
where: short stacking energy: -68.639
Base-Backbone interact. energy: -0.021
local terms energy: -80.081222
where:
bonds (distance) C4'-P energy: -16.820
bonds (distance) P-C4' energy: -14.652
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -11.083
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: 2, replica: 8
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -212.599722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.599722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.599722 (E_RNA)
where:
Base-Base interactions energy: -140.318
where: short stacking energy: -62.667
Base-Backbone interact. energy: -0.015
local terms energy: -72.266984
where:
bonds (distance) C4'-P energy: -17.559
bonds (distance) P-C4' energy: -15.415
flat angles C4'-P-C4' energy: -16.319
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -15.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -202.129874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.129874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.129874 (E_RNA)
where:
Base-Base interactions energy: -127.869
where: short stacking energy: -62.288
Base-Backbone interact. energy: -0.292
local terms energy: -73.968042
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -13.570
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: 2
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -186.520042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.520042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.520042 (E_RNA)
where:
Base-Base interactions energy: -122.005
where: short stacking energy: -62.371
Base-Backbone interact. energy: -0.291
local terms energy: -64.224394
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -10.104
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -14.795
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: 9
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -185.375231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.375231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.375231 (E_RNA)
where:
Base-Base interactions energy: -120.956
where: short stacking energy: -62.526
Base-Backbone interact. energy: -0.071
local terms energy: -64.348350
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -15.481
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -7.385
tors. eta vs tors. theta energy: -16.115
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: 5
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -116.542826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.542826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.542826 (E_RNA)
where:
Base-Base interactions energy: -63.374
where: short stacking energy: -34.042
Base-Backbone interact. energy: -0.194
local terms energy: -52.974586
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -14.977
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -6.436
tors. eta vs tors. theta energy: -2.012
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: 3
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -78.578169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.578169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.578169 (E_RNA)
where:
Base-Base interactions energy: -31.219
where: short stacking energy: -21.058
Base-Backbone interact. energy: -0.337
local terms energy: -47.021747
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -11.005
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: 1.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -92.671957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.671957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.671957 (E_RNA)
where:
Base-Base interactions energy: -45.736
where: short stacking energy: -38.178
Base-Backbone interact. energy: 0.268
local terms energy: -47.203571
where:
bonds (distance) C4'-P energy: -9.644
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -10.638
flat angles P-C4'-P energy: -4.372
tors. eta vs tors. theta energy: -8.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -80.907419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.907419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.907419 (E_RNA)
where:
Base-Base interactions energy: -37.580
where: short stacking energy: -28.996
Base-Backbone interact. energy: -0.351
local terms energy: -42.975655
where:
bonds (distance) C4'-P energy: -8.373
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -9.649
flat angles P-C4'-P energy: -5.978
tors. eta vs tors. theta energy: -3.850
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: 10, replica: 4
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -94.312540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.312540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.312540 (E_RNA)
where:
Base-Base interactions energy: -42.768
where: short stacking energy: -22.850
Base-Backbone interact. energy: -0.603
local terms energy: -50.941887
where:
bonds (distance) C4'-P energy: -12.709
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -12.087
flat angles P-C4'-P energy: -9.046
tors. eta vs tors. theta energy: -1.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -230.362681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.362681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.362681 (E_RNA)
where:
Base-Base interactions energy: -153.502
where: short stacking energy: -72.825
Base-Backbone interact. energy: -0.212
local terms energy: -76.648595
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -13.844
flat angles C4'-P-C4' energy: -17.509
flat angles P-C4'-P energy: -11.261
tors. eta vs tors. theta energy: -19.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -225.248228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.248228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.248228 (E_RNA)
where:
Base-Base interactions energy: -144.095
where: short stacking energy: -72.040
Base-Backbone interact. energy: -1.190
local terms energy: -79.963383
where:
bonds (distance) C4'-P energy: -17.431
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: -19.156
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: 7
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -192.797914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.797914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.797914 (E_RNA)
where:
Base-Base interactions energy: -129.179
where: short stacking energy: -65.919
Base-Backbone interact. energy: -0.019
local terms energy: -63.600096
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -10.288
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -15.492
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: 2
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -183.430373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.430373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.430373 (E_RNA)
where:
Base-Base interactions energy: -127.837
where: short stacking energy: -63.692
Base-Backbone interact. energy: -0.040
local terms energy: -55.553265
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -11.091
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -4.855
tors. eta vs tors. theta energy: -12.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -110.611516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.611516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.611516 (E_RNA)
where:
Base-Base interactions energy: -51.110
where: short stacking energy: -42.245
Base-Backbone interact. energy: -0.263
local terms energy: -59.238216
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -16.403
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -7.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -189.831371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.831371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.831371 (E_RNA)
where:
Base-Base interactions energy: -127.936
where: short stacking energy: -56.160
Base-Backbone interact. energy: -0.043
local terms energy: -61.852307
where:
bonds (distance) C4'-P energy: -9.118
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -12.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -93.178471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.178471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.178471 (E_RNA)
where:
Base-Base interactions energy: -36.917
where: short stacking energy: -23.677
Base-Backbone interact. energy: -0.304
local terms energy: -55.957221
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -4.800
tors. eta vs tors. theta energy: -3.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -102.404941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.404941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.404941 (E_RNA)
where:
Base-Base interactions energy: -42.243
where: short stacking energy: -22.187
Base-Backbone interact. energy: -0.136
local terms energy: -60.026299
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -15.531
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -1.884
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: 10
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -85.455834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.455834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.455834 (E_RNA)
where:
Base-Base interactions energy: -37.775
where: short stacking energy: -28.938
Base-Backbone interact. energy: 1.558
local terms energy: -49.238009
where:
bonds (distance) C4'-P energy: -8.173
bonds (distance) P-C4' energy: -11.133
flat angles C4'-P-C4' energy: -12.717
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -6.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -76.754417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.754417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.754417 (E_RNA)
where:
Base-Base interactions energy: -33.848
where: short stacking energy: -33.848
Base-Backbone interact. energy: -0.148
local terms energy: -42.757713
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -12.685
flat angles C4'-P-C4' energy: -11.451
flat angles P-C4'-P energy: -5.882
tors. eta vs tors. theta energy: 1.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -229.804020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.804020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.804020 (E_RNA)
where:
Base-Base interactions energy: -151.248
where: short stacking energy: -74.293
Base-Backbone interact. energy: -0.365
local terms energy: -78.191121
where:
bonds (distance) C4'-P energy: -12.486
bonds (distance) P-C4' energy: -15.397
flat angles C4'-P-C4' energy: -16.989
flat angles P-C4'-P energy: -13.092
tors. eta vs tors. theta energy: -20.226
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: 151
Temperature: 0.950000
Total energy: -197.503443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.503443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.503443 (E_RNA)
where:
Base-Base interactions energy: -126.600
where: short stacking energy: -59.449
Base-Backbone interact. energy: 1.840
local terms energy: -72.742936
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -12.640
tors. eta vs tors. theta energy: -16.781
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: 151
Temperature: 1.000000
Total energy: -201.258842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.258842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.258842 (E_RNA)
where:
Base-Base interactions energy: -138.241
where: short stacking energy: -68.309
Base-Backbone interact. energy: -0.002
local terms energy: -63.016037
where:
bonds (distance) C4'-P energy: -9.722
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -15.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -183.249179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.249179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.249179 (E_RNA)
where:
Base-Base interactions energy: -121.894
where: short stacking energy: -56.851
Base-Backbone interact. energy: -0.033
local terms energy: -61.322494
where:
bonds (distance) C4'-P energy: -8.921
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -8.079
tors. eta vs tors. theta energy: -12.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -115.748364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.748364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.748364 (E_RNA)
where:
Base-Base interactions energy: -50.587
where: short stacking energy: -50.587
Base-Backbone interact. energy: -0.109
local terms energy: -65.052774
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -12.438
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -14.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -178.227167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.227167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.227167 (E_RNA)
where:
Base-Base interactions energy: -111.408
where: short stacking energy: -51.033
Base-Backbone interact. energy: 0.408
local terms energy: -67.227374
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -12.038
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: 6
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -97.753492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.753492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.753492 (E_RNA)
where:
Base-Base interactions energy: -51.345
where: short stacking energy: -30.590
Base-Backbone interact. energy: -0.235
local terms energy: -46.172920
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -14.193
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -5.048
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: 8, replica: 10
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -102.076388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.076388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.076388 (E_RNA)
where:
Base-Base interactions energy: -47.677
where: short stacking energy: -43.740
Base-Backbone interact. energy: -1.491
local terms energy: -52.908340
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -8.044
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -7.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -85.189428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.189428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.189428 (E_RNA)
where:
Base-Base interactions energy: -28.607
where: short stacking energy: -25.948
Base-Backbone interact. energy: -0.134
local terms energy: -56.448912
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -10.360
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: -7.261
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: 4
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -79.074318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.074318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.074318 (E_RNA)
where:
Base-Base interactions energy: -23.817
where: short stacking energy: -18.933
Base-Backbone interact. energy: 0.209
local terms energy: -55.465871
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -6.186
tors. eta vs tors. theta energy: -7.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -212.701182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.701182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.701182 (E_RNA)
where:
Base-Base interactions energy: -134.681
where: short stacking energy: -74.878
Base-Backbone interact. energy: 0.154
local terms energy: -78.173428
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -20.041
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: 1
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -218.892260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.892260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.892260 (E_RNA)
where:
Base-Base interactions energy: -137.301
where: short stacking energy: -76.575
Base-Backbone interact. energy: -0.309
local terms energy: -81.281633
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -12.140
tors. eta vs tors. theta energy: -20.459
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: 2
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -193.618747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.618747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.618747 (E_RNA)
where:
Base-Base interactions energy: -129.106
where: short stacking energy: -61.083
Base-Backbone interact. energy: -0.047
local terms energy: -64.465395
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -6.008
tors. eta vs tors. theta energy: -11.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -215.242372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.242372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.242372 (E_RNA)
where:
Base-Base interactions energy: -144.735
where: short stacking energy: -73.419
Base-Backbone interact. energy: -0.683
local terms energy: -69.824820
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -7.852
tors. eta vs tors. theta energy: -20.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -178.309193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.309193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.309193 (E_RNA)
where:
Base-Base interactions energy: -114.183
where: short stacking energy: -55.210
Base-Backbone interact. energy: -0.220
local terms energy: -63.906146
where:
bonds (distance) C4'-P energy: -15.803
bonds (distance) P-C4' energy: -13.196
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -12.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -104.475988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.475988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.475988 (E_RNA)
where:
Base-Base interactions energy: -49.823
where: short stacking energy: -32.437
Base-Backbone interact. energy: -0.842
local terms energy: -53.810578
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -9.865
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: 7, replica: 10
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -122.383181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.383181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.383181 (E_RNA)
where:
Base-Base interactions energy: -75.088
where: short stacking energy: -41.641
Base-Backbone interact. energy: -0.451
local terms energy: -46.844963
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -8.894
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -5.985
tors. eta vs tors. theta energy: -6.970
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: 6
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -100.827878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.827878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.827878 (E_RNA)
where:
Base-Base interactions energy: -49.555
where: short stacking energy: -31.873
Base-Backbone interact. energy: -0.065
local terms energy: -51.207565
where:
bonds (distance) C4'-P energy: -8.693
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -6.116
tors. eta vs tors. theta energy: -5.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -84.765237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.765237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.765237 (E_RNA)
where:
Base-Base interactions energy: -43.527
where: short stacking energy: -26.459
Base-Backbone interact. energy: 0.183
local terms energy: -41.420874
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -8.098
flat angles P-C4'-P energy: -3.341
tors. eta vs tors. theta energy: -0.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -84.948148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.948148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.948148 (E_RNA)
where:
Base-Base interactions energy: -28.944
where: short stacking energy: -24.631
Base-Backbone interact. energy: -0.155
local terms energy: -55.848622
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -16.601
flat angles C4'-P-C4' energy: -12.245
flat angles P-C4'-P energy: -8.726
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: 1, replica: 7
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -211.990893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.990893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.990893 (E_RNA)
where:
Base-Base interactions energy: -140.542
where: short stacking energy: -67.609
Base-Backbone interact. energy: 0.737
local terms energy: -72.185677
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -12.224
flat angles C4'-P-C4' energy: -15.412
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -18.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -218.890353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.890353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.890353 (E_RNA)
where:
Base-Base interactions energy: -144.548
where: short stacking energy: -66.099
Base-Backbone interact. energy: -0.865
local terms energy: -73.477274
where:
bonds (distance) C4'-P energy: -12.618
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -18.119
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: 2
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -203.526987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.526987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.526987 (E_RNA)
where:
Base-Base interactions energy: -132.905
where: short stacking energy: -61.616
Base-Backbone interact. energy: -0.083
local terms energy: -70.538604
where:
bonds (distance) C4'-P energy: -11.622
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -18.959
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: 8
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -215.897103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.897103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.897103 (E_RNA)
where:
Base-Base interactions energy: -140.313
where: short stacking energy: -62.244
Base-Backbone interact. energy: -0.004
local terms energy: -75.579493
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -19.732
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: 9
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -180.083397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.083397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.083397 (E_RNA)
where:
Base-Base interactions energy: -116.938
where: short stacking energy: -59.647
Base-Backbone interact. energy: -0.003
local terms energy: -63.142624
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -9.272
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -14.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -145.757628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.757628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.757628 (E_RNA)
where:
Base-Base interactions energy: -83.342
where: short stacking energy: -41.065
Base-Backbone interact. energy: -0.188
local terms energy: -62.227915
where:
bonds (distance) C4'-P energy: -16.321
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -9.974
flat angles P-C4'-P energy: -8.914
tors. eta vs tors. theta energy: -10.790
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: 7, replica: 5
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -88.983473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.983473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.983473 (E_RNA)
where:
Base-Base interactions energy: -44.051
where: short stacking energy: -36.643
Base-Backbone interact. energy: -0.143
local terms energy: -44.789058
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -8.770
flat angles P-C4'-P energy: -6.828
tors. eta vs tors. theta energy: -2.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -88.235637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.235637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.235637 (E_RNA)
where:
Base-Base interactions energy: -35.331
where: short stacking energy: -31.472
Base-Backbone interact. energy: -0.108
local terms energy: -52.797227
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -11.942
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -8.122
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: 9, replica: 6
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -81.229554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.229554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.229554 (E_RNA)
where:
Base-Base interactions energy: -36.305
where: short stacking energy: -28.858
Base-Backbone interact. energy: -0.183
local terms energy: -44.742151
where:
bonds (distance) C4'-P energy: -10.600
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -9.936
flat angles P-C4'-P energy: -6.898
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: 10, replica: 3
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -75.026314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.026314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.026314 (E_RNA)
where:
Base-Base interactions energy: -38.035
where: short stacking energy: -30.231
Base-Backbone interact. energy: -0.073
local terms energy: -36.917947
where:
bonds (distance) C4'-P energy: -8.547
bonds (distance) P-C4' energy: -10.995
flat angles C4'-P-C4' energy: -11.421
flat angles P-C4'-P energy: -7.169
tors. eta vs tors. theta energy: 1.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -219.400534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.400534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.400534 (E_RNA)
where:
Base-Base interactions energy: -147.886
where: short stacking energy: -64.754
Base-Backbone interact. energy: -0.001
local terms energy: -71.513425
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -9.331
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -13.064
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: 2, replica: 7
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -215.681551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.681551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.681551 (E_RNA)
where:
Base-Base interactions energy: -143.945
where: short stacking energy: -66.093
Base-Backbone interact. energy: 0.869
local terms energy: -72.605187
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -9.761
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: 3, replica: 8
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -216.498216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.498216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.498216 (E_RNA)
where:
Base-Base interactions energy: -143.394
where: short stacking energy: -69.565
Base-Backbone interact. energy: -0.134
local terms energy: -72.970976
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -15.978
flat angles P-C4'-P energy: -9.050
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: 4, replica: 2
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -198.312577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.312577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.312577 (E_RNA)
where:
Base-Base interactions energy: -124.720
where: short stacking energy: -62.750
Base-Backbone interact. energy: -0.006
local terms energy: -73.586733
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -16.900
flat angles P-C4'-P energy: -11.134
tors. eta vs tors. theta energy: -17.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -187.215065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.215065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.215065 (E_RNA)
where:
Base-Base interactions energy: -122.211
where: short stacking energy: -51.379
Base-Backbone interact. energy: -0.460
local terms energy: -64.544018
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -3.663
tors. eta vs tors. theta energy: -15.400
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: 10
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -145.351376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.351376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.351376 (E_RNA)
where:
Base-Base interactions energy: -92.018
where: short stacking energy: -50.180
Base-Backbone interact. energy: -1.356
local terms energy: -51.977969
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -10.669
flat angles C4'-P-C4' energy: -12.162
flat angles P-C4'-P energy: -2.845
tors. eta vs tors. theta energy: -12.340
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: 7, replica: 4
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -120.820426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.820426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.820426 (E_RNA)
where:
Base-Base interactions energy: -65.379
where: short stacking energy: -51.042
Base-Backbone interact. energy: -0.002
local terms energy: -55.439856
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -12.181
flat angles C4'-P-C4' energy: -13.102
flat angles P-C4'-P energy: -5.110
tors. eta vs tors. theta energy: -12.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -88.792146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.792146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.792146 (E_RNA)
where:
Base-Base interactions energy: -43.155
where: short stacking energy: -30.573
Base-Backbone interact. energy: -1.125
local terms energy: -44.512304
where:
bonds (distance) C4'-P energy: -16.557
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -2.379
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -2.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -93.231433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.231433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.231433 (E_RNA)
where:
Base-Base interactions energy: -42.460
where: short stacking energy: -35.991
Base-Backbone interact. energy: -0.013
local terms energy: -50.758494
where:
bonds (distance) C4'-P energy: -5.707
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -5.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -88.950661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.950661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.950661 (E_RNA)
where:
Base-Base interactions energy: -27.929
where: short stacking energy: -24.909
Base-Backbone interact. energy: -0.688
local terms energy: -60.333581
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -5.369
tors. eta vs tors. theta energy: -7.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -230.649993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.649993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.649993 (E_RNA)
where:
Base-Base interactions energy: -148.153
where: short stacking energy: -66.462
Base-Backbone interact. energy: -0.452
local terms energy: -82.044207
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -20.452
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: 7
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -217.631889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.631889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.631889 (E_RNA)
where:
Base-Base interactions energy: -151.984
where: short stacking energy: -65.905
Base-Backbone interact. energy: -0.131
local terms energy: -65.517173
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -13.631
flat angles P-C4'-P energy: -8.821
tors. eta vs tors. theta energy: -12.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -220.822398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.822398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.822398 (E_RNA)
where:
Base-Base interactions energy: -140.253
where: short stacking energy: -71.767
Base-Backbone interact. energy: -0.000
local terms energy: -80.569322
where:
bonds (distance) C4'-P energy: -17.560
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -20.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -200.207415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.207415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.207415 (E_RNA)
where:
Base-Base interactions energy: -129.527
where: short stacking energy: -67.175
Base-Backbone interact. energy: -0.096
local terms energy: -70.585049
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -7.431
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: 5, replica: 9
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -190.873994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.873994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.873994 (E_RNA)
where:
Base-Base interactions energy: -120.842
where: short stacking energy: -54.121
Base-Backbone interact. energy: -0.102
local terms energy: -69.930236
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -12.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -157.976096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.976096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.976096 (E_RNA)
where:
Base-Base interactions energy: -91.242
where: short stacking energy: -47.669
Base-Backbone interact. energy: -0.109
local terms energy: -66.625436
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -13.774
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -9.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -97.843508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.843508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.843508 (E_RNA)
where:
Base-Base interactions energy: -54.113
where: short stacking energy: -30.452
Base-Backbone interact. energy: 0.003
local terms energy: -43.732907
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -3.657
tors. eta vs tors. theta energy: 1.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -94.377601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.377601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.377601 (E_RNA)
where:
Base-Base interactions energy: -46.042
where: short stacking energy: -28.142
Base-Backbone interact. energy: -0.607
local terms energy: -47.728999
where:
bonds (distance) C4'-P energy: -10.532
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -17.992
flat angles P-C4'-P energy: -6.445
tors. eta vs tors. theta energy: -1.223
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: 5
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -83.474257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.474257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.474257 (E_RNA)
where:
Base-Base interactions energy: -37.511
where: short stacking energy: -30.719
Base-Backbone interact. energy: 3.096
local terms energy: -49.059468
where:
bonds (distance) C4'-P energy: -11.624
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -10.522
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -1.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -78.114700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.114700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.114700 (E_RNA)
where:
Base-Base interactions energy: -30.964
where: short stacking energy: -30.419
Base-Backbone interact. energy: -0.040
local terms energy: -47.111119
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -0.764
tors. eta vs tors. theta energy: -4.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -226.415187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.415187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.415187 (E_RNA)
where:
Base-Base interactions energy: -149.323
where: short stacking energy: -69.462
Base-Backbone interact. energy: -0.109
local terms energy: -76.983140
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -17.784
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -19.909
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: 7
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -205.263775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.263775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.263775 (E_RNA)
where:
Base-Base interactions energy: -138.882
where: short stacking energy: -61.234
Base-Backbone interact. energy: -0.907
local terms energy: -65.474650
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -11.238
flat angles C4'-P-C4' energy: -16.187
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -13.580
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: 2
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -199.638403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.638403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.638403 (E_RNA)
where:
Base-Base interactions energy: -124.233
where: short stacking energy: -66.031
Base-Backbone interact. energy: -0.088
local terms energy: -75.318004
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -13.012
flat angles C4'-P-C4' energy: -17.511
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -20.521
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: 8
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -204.737064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.737064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.737064 (E_RNA)
where:
Base-Base interactions energy: -129.883
where: short stacking energy: -61.949
Base-Backbone interact. energy: -0.071
local terms energy: -74.783177
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -16.034
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -11.255
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: 5, replica: 9
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -184.037457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.037457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.037457 (E_RNA)
where:
Base-Base interactions energy: -127.871
where: short stacking energy: -54.069
Base-Backbone interact. energy: -0.199
local terms energy: -55.967722
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -6.738
tors. eta vs tors. theta energy: -8.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -142.191140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.191140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.191140 (E_RNA)
where:
Base-Base interactions energy: -88.353
where: short stacking energy: -48.598
Base-Backbone interact. energy: -0.148
local terms energy: -53.689979
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -14.597
flat angles C4'-P-C4' energy: -8.283
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -5.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -94.874033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.874033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.874033 (E_RNA)
where:
Base-Base interactions energy: -43.459
where: short stacking energy: -24.984
Base-Backbone interact. energy: 0.096
local terms energy: -51.510878
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: 2.737
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: 8, replica: 4
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -94.311754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.311754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.311754 (E_RNA)
where:
Base-Base interactions energy: -47.317
where: short stacking energy: -32.380
Base-Backbone interact. energy: 0.028
local terms energy: -47.022669
where:
bonds (distance) C4'-P energy: -8.804
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -6.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -90.492551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.492551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.492551 (E_RNA)
where:
Base-Base interactions energy: -36.539
where: short stacking energy: -36.539
Base-Backbone interact. energy: -0.139
local terms energy: -53.815277
where:
bonds (distance) C4'-P energy: -12.834
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -12.597
flat angles P-C4'-P energy: -7.171
tors. eta vs tors. theta energy: -5.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -75.317256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.317256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.317256 (E_RNA)
where:
Base-Base interactions energy: -27.972
where: short stacking energy: -21.604
Base-Backbone interact. energy: -0.022
local terms energy: -47.322640
where:
bonds (distance) C4'-P energy: -14.336
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -9.485
flat angles P-C4'-P energy: -4.653
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: 1
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -230.479569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.479569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.479569 (E_RNA)
where:
Base-Base interactions energy: -153.684
where: short stacking energy: -76.104
Base-Backbone interact. energy: 1.111
local terms energy: -77.906945
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -17.402
flat angles P-C4'-P energy: -8.847
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: 2, replica: 2
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -193.706464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.706464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.706464 (E_RNA)
where:
Base-Base interactions energy: -128.528
where: short stacking energy: -62.726
Base-Backbone interact. energy: -0.769
local terms energy: -64.409716
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -11.423
flat angles C4'-P-C4' energy: -17.516
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -14.530
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: 7
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -196.386393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.386393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.386393 (E_RNA)
where:
Base-Base interactions energy: -131.819
where: short stacking energy: -58.907
Base-Backbone interact. energy: -0.444
local terms energy: -64.123706
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -10.983
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -16.118
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: 8
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -218.977441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.977441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.977441 (E_RNA)
where:
Base-Base interactions energy: -146.868
where: short stacking energy: -76.162
Base-Backbone interact. energy: -1.005
local terms energy: -71.105150
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -14.294
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -6.985
tors. eta vs tors. theta energy: -19.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -188.155590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.155590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.155590 (E_RNA)
where:
Base-Base interactions energy: -130.312
where: short stacking energy: -59.981
Base-Backbone interact. energy: -0.282
local terms energy: -57.561698
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -7.679
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -13.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -133.680745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.680745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.680745 (E_RNA)
where:
Base-Base interactions energy: -74.252
where: short stacking energy: -42.700
Base-Backbone interact. energy: -0.587
local terms energy: -58.841705
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -14.132
flat angles P-C4'-P energy: -7.487
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: 7, replica: 6
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -98.403375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.403375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.403375 (E_RNA)
where:
Base-Base interactions energy: -48.702
where: short stacking energy: -35.172
Base-Backbone interact. energy: 0.343
local terms energy: -50.044512
where:
bonds (distance) C4'-P energy: -10.397
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -10.697
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -5.890
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: 3
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -91.690074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.690074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.690074 (E_RNA)
where:
Base-Base interactions energy: -40.430
where: short stacking energy: -33.972
Base-Backbone interact. energy: -0.083
local terms energy: -51.177071
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -10.560
flat angles P-C4'-P energy: -9.193
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: 9, replica: 4
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -91.825774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.825774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.825774 (E_RNA)
where:
Base-Base interactions energy: -47.323
where: short stacking energy: -30.698
Base-Backbone interact. energy: -0.156
local terms energy: -44.346192
where:
bonds (distance) C4'-P energy: -9.060
bonds (distance) P-C4' energy: -5.781
flat angles C4'-P-C4' energy: -11.773
flat angles P-C4'-P energy: -10.428
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: 10, replica: 5
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -74.699140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.699140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.699140 (E_RNA)
where:
Base-Base interactions energy: -31.583
where: short stacking energy: -27.253
Base-Backbone interact. energy: -0.227
local terms energy: -42.889072
where:
bonds (distance) C4'-P energy: -7.430
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -11.422
flat angles P-C4'-P energy: -7.663
tors. eta vs tors. theta energy: -1.281
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: 1, replica: 1
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -234.806659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.806659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.806659 (E_RNA)
where:
Base-Base interactions energy: -153.752
where: short stacking energy: -74.930
Base-Backbone interact. energy: -0.241
local terms energy: -80.813884
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -14.659
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: 2, replica: 2
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -198.121302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.121302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.121302 (E_RNA)
where:
Base-Base interactions energy: -121.419
where: short stacking energy: -61.797
Base-Backbone interact. energy: -0.014
local terms energy: -76.688563
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -15.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -225.423712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.423712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.423712 (E_RNA)
where:
Base-Base interactions energy: -152.084
where: short stacking energy: -76.320
Base-Backbone interact. energy: -0.002
local terms energy: -73.337614
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -11.444
flat angles C4'-P-C4' energy: -17.381
flat angles P-C4'-P energy: -8.282
tors. eta vs tors. theta energy: -20.566
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: 158
Temperature: 1.050000
Total energy: -186.597526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.597526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.597526 (E_RNA)
where:
Base-Base interactions energy: -128.843
where: short stacking energy: -48.646
Base-Backbone interact. energy: -0.137
local terms energy: -57.616769
where:
bonds (distance) C4'-P energy: -12.101
bonds (distance) P-C4' energy: -12.480
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -6.286
tors. eta vs tors. theta energy: -14.113
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: 9
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -177.590316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.590316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.590316 (E_RNA)
where:
Base-Base interactions energy: -123.378
where: short stacking energy: -52.020
Base-Backbone interact. energy: -0.119
local terms energy: -54.093416
where:
bonds (distance) C4'-P energy: -9.822
bonds (distance) P-C4' energy: -12.501
flat angles C4'-P-C4' energy: -10.526
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -12.691
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: 10
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -130.335490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.335490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.335490 (E_RNA)
where:
Base-Base interactions energy: -75.730
where: short stacking energy: -46.192
Base-Backbone interact. energy: -0.096
local terms energy: -54.509306
where:
bonds (distance) C4'-P energy: -14.088
bonds (distance) P-C4' energy: -9.240
flat angles C4'-P-C4' energy: -12.000
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -7.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -100.127848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.127848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.127848 (E_RNA)
where:
Base-Base interactions energy: -40.447
where: short stacking energy: -39.492
Base-Backbone interact. energy: -0.159
local terms energy: -59.521576
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -15.066
flat angles C4'-P-C4' energy: -11.901
flat angles P-C4'-P energy: -6.684
tors. eta vs tors. theta energy: -10.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -92.082266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.082266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.082266 (E_RNA)
where:
Base-Base interactions energy: -39.866
where: short stacking energy: -38.242
Base-Backbone interact. energy: -0.124
local terms energy: -52.092485
where:
bonds (distance) C4'-P energy: -10.642
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -12.400
flat angles P-C4'-P energy: -4.219
tors. eta vs tors. theta energy: -8.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -82.131885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.131885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.131885 (E_RNA)
where:
Base-Base interactions energy: -28.962
where: short stacking energy: -28.962
Base-Backbone interact. energy: 0.744
local terms energy: -53.914110
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -9.958
flat angles P-C4'-P energy: -7.604
tors. eta vs tors. theta energy: -2.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -80.195467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.195467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.195467 (E_RNA)
where:
Base-Base interactions energy: -28.194
where: short stacking energy: -28.132
Base-Backbone interact. energy: -0.140
local terms energy: -51.861839
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -3.281
tors. eta vs tors. theta energy: -3.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -231.974156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.974156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.974156 (E_RNA)
where:
Base-Base interactions energy: -154.210
where: short stacking energy: -75.291
Base-Backbone interact. energy: 0.698
local terms energy: -78.462862
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -17.301
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -12.093
tors. eta vs tors. theta energy: -19.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -224.787413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.787413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.787413 (E_RNA)
where:
Base-Base interactions energy: -146.788
where: short stacking energy: -72.085
Base-Backbone interact. energy: -0.306
local terms energy: -77.693096
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -13.657
flat angles C4'-P-C4' energy: -17.458
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -21.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -191.927876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.927876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.927876 (E_RNA)
where:
Base-Base interactions energy: -124.805
where: short stacking energy: -63.311
Base-Backbone interact. energy: -0.009
local terms energy: -67.113588
where:
bonds (distance) C4'-P energy: -10.790
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -16.318
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: 9
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -191.550964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.550964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.550964 (E_RNA)
where:
Base-Base interactions energy: -128.483
where: short stacking energy: -60.799
Base-Backbone interact. energy: -0.015
local terms energy: -63.053363
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -5.505
tors. eta vs tors. theta energy: -12.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -190.268192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.268192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.268192 (E_RNA)
where:
Base-Base interactions energy: -125.112
where: short stacking energy: -48.592
Base-Backbone interact. energy: -0.043
local terms energy: -65.113557
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: -13.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -139.230510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.230510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.230510 (E_RNA)
where:
Base-Base interactions energy: -76.540
where: short stacking energy: -45.849
Base-Backbone interact. energy: -0.203
local terms energy: -62.487424
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -12.811
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -7.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -91.182018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.182018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.182018 (E_RNA)
where:
Base-Base interactions energy: -38.475
where: short stacking energy: -38.475
Base-Backbone interact. energy: -0.073
local terms energy: -52.633746
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -6.667
tors. eta vs tors. theta energy: -3.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -90.720071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.720071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.720071 (E_RNA)
where:
Base-Base interactions energy: -44.423
where: short stacking energy: -22.360
Base-Backbone interact. energy: -0.214
local terms energy: -46.083027
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -4.319
tors. eta vs tors. theta energy: 2.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -91.266997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.266997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.266997 (E_RNA)
where:
Base-Base interactions energy: -39.243
where: short stacking energy: -24.538
Base-Backbone interact. energy: -0.091
local terms energy: -51.932968
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -10.765
flat angles P-C4'-P energy: -7.453
tors. eta vs tors. theta energy: -0.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -80.012958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.012958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.012958 (E_RNA)
where:
Base-Base interactions energy: -35.931
where: short stacking energy: -35.931
Base-Backbone interact. energy: -0.160
local terms energy: -43.921838
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -7.221
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -0.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -224.956278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.956278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.956278 (E_RNA)
where:
Base-Base interactions energy: -148.456
where: short stacking energy: -79.334
Base-Backbone interact. energy: -0.016
local terms energy: -76.483890
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -12.421
flat angles C4'-P-C4' energy: -17.277
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -20.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -229.275004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.275004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.275004 (E_RNA)
where:
Base-Base interactions energy: -156.149
where: short stacking energy: -78.423
Base-Backbone interact. energy: -0.868
local terms energy: -72.257342
where:
bonds (distance) C4'-P energy: -8.204
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -16.807
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -20.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -200.556806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.556806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.556806 (E_RNA)
where:
Base-Base interactions energy: -133.422
where: short stacking energy: -62.373
Base-Backbone interact. energy: -0.011
local terms energy: -67.123447
where:
bonds (distance) C4'-P energy: -13.533
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -14.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -192.068407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.068407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.068407 (E_RNA)
where:
Base-Base interactions energy: -129.569
where: short stacking energy: -56.410
Base-Backbone interact. energy: -0.042
local terms energy: -62.457084
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -10.163
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -5.873
tors. eta vs tors. theta energy: -16.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -146.884809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.884809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.884809 (E_RNA)
where:
Base-Base interactions energy: -81.603
where: short stacking energy: -51.478
Base-Backbone interact. energy: 0.432
local terms energy: -65.713717
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -11.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -176.646753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.646753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.646753 (E_RNA)
where:
Base-Base interactions energy: -111.666
where: short stacking energy: -55.431
Base-Backbone interact. energy: -0.024
local terms energy: -64.956081
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -14.175
flat angles C4'-P-C4' energy: -17.052
flat angles P-C4'-P energy: -8.224
tors. eta vs tors. theta energy: -12.930
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: 7, replica: 5
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -104.257591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.257591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.257591 (E_RNA)
where:
Base-Base interactions energy: -33.993
where: short stacking energy: -30.843
Base-Backbone interact. energy: -0.094
local terms energy: -70.170375
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: -10.486
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: 3
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -82.792290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.792290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.792290 (E_RNA)
where:
Base-Base interactions energy: -34.526
where: short stacking energy: -22.647
Base-Backbone interact. energy: -0.443
local terms energy: -47.822663
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -11.818
flat angles P-C4'-P energy: -6.954
tors. eta vs tors. theta energy: -2.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -81.264128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.264128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.264128 (E_RNA)
where:
Base-Base interactions energy: -25.049
where: short stacking energy: -24.102
Base-Backbone interact. energy: -0.295
local terms energy: -55.919441
where:
bonds (distance) C4'-P energy: -12.139
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -8.187
flat angles P-C4'-P energy: -11.902
tors. eta vs tors. theta energy: -6.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -74.865104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.865104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.865104 (E_RNA)
where:
Base-Base interactions energy: -22.090
where: short stacking energy: -22.090
Base-Backbone interact. energy: -0.003
local terms energy: -52.771872
where:
bonds (distance) C4'-P energy: -9.670
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -6.203
tors. eta vs tors. theta energy: -4.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -220.751722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.751722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.751722 (E_RNA)
where:
Base-Base interactions energy: -146.023
where: short stacking energy: -70.318
Base-Backbone interact. energy: -0.008
local terms energy: -74.720175
where:
bonds (distance) C4'-P energy: -15.975
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -8.834
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: 2, replica: 8
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -218.830230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.830230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.830230 (E_RNA)
where:
Base-Base interactions energy: -147.807
where: short stacking energy: -61.998
Base-Backbone interact. energy: 0.143
local terms energy: -71.165492
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -18.712
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -7.214
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: 3, replica: 9
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -200.864655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.864655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.864655 (E_RNA)
where:
Base-Base interactions energy: -132.882
where: short stacking energy: -70.400
Base-Backbone interact. energy: -0.581
local terms energy: -67.401814
where:
bonds (distance) C4'-P energy: -9.482
bonds (distance) P-C4' energy: -19.395
flat angles C4'-P-C4' energy: -11.455
flat angles P-C4'-P energy: -10.557
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: 4, replica: 10
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -139.585371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.585371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.585371 (E_RNA)
where:
Base-Base interactions energy: -78.895
where: short stacking energy: -42.767
Base-Backbone interact. energy: -0.694
local terms energy: -59.995992
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -11.681
tors. eta vs tors. theta energy: -3.549
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: 2
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -180.127977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.127977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.127977 (E_RNA)
where:
Base-Base interactions energy: -116.970
where: short stacking energy: -58.022
Base-Backbone interact. energy: -0.006
local terms energy: -63.152093
where:
bonds (distance) C4'-P energy: -11.247
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -17.275
flat angles P-C4'-P energy: -6.373
tors. eta vs tors. theta energy: -11.801
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: 7
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -179.911036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.911036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.911036 (E_RNA)
where:
Base-Base interactions energy: -121.487
where: short stacking energy: -50.557
Base-Backbone interact. energy: -0.106
local terms energy: -58.318376
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -9.139
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: 7, replica: 5
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -99.234439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.234439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.234439 (E_RNA)
where:
Base-Base interactions energy: -42.307
where: short stacking energy: -42.307
Base-Backbone interact. energy: -0.040
local terms energy: -56.887517
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -10.421
tors. eta vs tors. theta energy: -5.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -89.073877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.073877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.073877 (E_RNA)
where:
Base-Base interactions energy: -33.672
where: short stacking energy: -31.458
Base-Backbone interact. energy: -0.939
local terms energy: -54.463472
where:
bonds (distance) C4'-P energy: -11.371
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -14.566
flat angles P-C4'-P energy: -8.233
tors. eta vs tors. theta energy: -3.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -86.316651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.316651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.316651 (E_RNA)
where:
Base-Base interactions energy: -42.781
where: short stacking energy: -42.781
Base-Backbone interact. energy: 2.033
local terms energy: -45.568960
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -9.420
flat angles C4'-P-C4' energy: -12.900
flat angles P-C4'-P energy: -5.994
tors. eta vs tors. theta energy: -3.356
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: 6
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -75.206754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.206754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.206754 (E_RNA)
where:
Base-Base interactions energy: -21.457
where: short stacking energy: -21.457
Base-Backbone interact. energy: -0.869
local terms energy: -52.881031
where:
bonds (distance) C4'-P energy: -8.624
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -9.894
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: 1, replica: 8
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -224.910086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.910086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.910086 (E_RNA)
where:
Base-Base interactions energy: -145.804
where: short stacking energy: -63.925
Base-Backbone interact. energy: -0.213
local terms energy: -78.893139
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -17.250
flat angles P-C4'-P energy: -13.937
tors. eta vs tors. theta energy: -19.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -221.971797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.971797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.971797 (E_RNA)
where:
Base-Base interactions energy: -147.117
where: short stacking energy: -78.290
Base-Backbone interact. energy: -0.259
local terms energy: -74.596187
where:
bonds (distance) C4'-P energy: -9.628
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -23.945
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: 9
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -202.285773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.285773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.285773 (E_RNA)
where:
Base-Base interactions energy: -139.869
where: short stacking energy: -58.798
Base-Backbone interact. energy: -0.035
local terms energy: -62.381915
where:
bonds (distance) C4'-P energy: -10.228
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: -11.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -164.451796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.451796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.451796 (E_RNA)
where:
Base-Base interactions energy: -95.395
where: short stacking energy: -59.030
Base-Backbone interact. energy: -0.071
local terms energy: -68.985510
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -13.252
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -9.191
tors. eta vs tors. theta energy: -15.650
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: 162
Temperature: 1.100000
Total energy: -183.355350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.355350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.355350 (E_RNA)
where:
Base-Base interactions energy: -124.017
where: short stacking energy: -52.383
Base-Backbone interact. energy: 0.397
local terms energy: -59.734870
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -6.252
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: -15.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -182.092906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.092906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.092906 (E_RNA)
where:
Base-Base interactions energy: -120.001
where: short stacking energy: -53.215
Base-Backbone interact. energy: 1.462
local terms energy: -63.554131
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -12.394
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -11.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -104.190765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.190765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.190765 (E_RNA)
where:
Base-Base interactions energy: -42.767
where: short stacking energy: -38.245
Base-Backbone interact. energy: -0.020
local terms energy: -61.403896
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -12.845
flat angles P-C4'-P energy: -9.297
tors. eta vs tors. theta energy: -8.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -86.802168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.802168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.802168 (E_RNA)
where:
Base-Base interactions energy: -34.157
where: short stacking energy: -34.157
Base-Backbone interact. energy: -0.071
local terms energy: -52.573591
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -9.549
flat angles P-C4'-P energy: -11.280
tors. eta vs tors. theta energy: -5.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -80.758941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.758941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.758941 (E_RNA)
where:
Base-Base interactions energy: -32.820
where: short stacking energy: -25.688
Base-Backbone interact. energy: -0.036
local terms energy: -47.903136
where:
bonds (distance) C4'-P energy: -9.506
bonds (distance) P-C4' energy: -13.644
flat angles C4'-P-C4' energy: -10.568
flat angles P-C4'-P energy: -3.778
tors. eta vs tors. theta energy: -10.407
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: 3
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -76.115940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.115940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.115940 (E_RNA)
where:
Base-Base interactions energy: -26.979
where: short stacking energy: -26.979
Base-Backbone interact. energy: -0.332
local terms energy: -48.804353
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: 0.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -232.120903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.120903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.120903 (E_RNA)
where:
Base-Base interactions energy: -151.494
where: short stacking energy: -77.421
Base-Backbone interact. energy: -0.239
local terms energy: -80.388029
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -16.255
flat angles P-C4'-P energy: -14.477
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: 2, replica: 9
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -208.800928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.800928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.800928 (E_RNA)
where:
Base-Base interactions energy: -146.263
where: short stacking energy: -57.660
Base-Backbone interact. energy: -0.356
local terms energy: -62.181816
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -3.055
tors. eta vs tors. theta energy: -17.115
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: 1
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -216.873423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.873423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.873423 (E_RNA)
where:
Base-Base interactions energy: -135.113
where: short stacking energy: -63.747
Base-Backbone interact. energy: -0.199
local terms energy: -81.561477
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -14.721
flat angles C4'-P-C4' energy: -16.627
flat angles P-C4'-P energy: -12.484
tors. eta vs tors. theta energy: -23.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -195.112343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.112343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.112343 (E_RNA)
where:
Base-Base interactions energy: -124.340
where: short stacking energy: -65.264
Base-Backbone interact. energy: -0.833
local terms energy: -69.939925
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -13.553
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -17.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -136.060652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.060652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.060652 (E_RNA)
where:
Base-Base interactions energy: -77.791
where: short stacking energy: -31.429
Base-Backbone interact. energy: -0.664
local terms energy: -57.605571
where:
bonds (distance) C4'-P energy: -10.303
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -7.735
tors. eta vs tors. theta energy: -6.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -179.435478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.435478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.435478 (E_RNA)
where:
Base-Base interactions energy: -123.279
where: short stacking energy: -62.564
Base-Backbone interact. energy: -0.041
local terms energy: -56.115483
where:
bonds (distance) C4'-P energy: -9.740
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -11.826
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -10.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -91.689986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.689986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.689986 (E_RNA)
where:
Base-Base interactions energy: -38.956
where: short stacking energy: -35.363
Base-Backbone interact. energy: -0.303
local terms energy: -52.430859
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -7.083
tors. eta vs tors. theta energy: -3.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -79.548051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.548051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.548051 (E_RNA)
where:
Base-Base interactions energy: -29.320
where: short stacking energy: -26.611
Base-Backbone interact. energy: -0.023
local terms energy: -50.205058
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -8.933
flat angles P-C4'-P energy: -5.094
tors. eta vs tors. theta energy: -8.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -88.751568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.751568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.751568 (E_RNA)
where:
Base-Base interactions energy: -35.330
where: short stacking energy: -35.105
Base-Backbone interact. energy: -0.026
local terms energy: -53.395550
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -11.149
flat angles P-C4'-P energy: -7.175
tors. eta vs tors. theta energy: -7.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -66.580400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.580400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.580400 (E_RNA)
where:
Base-Base interactions energy: -27.748
where: short stacking energy: -27.582
Base-Backbone interact. energy: 0.122
local terms energy: -38.954371
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -11.639
flat angles C4'-P-C4' energy: -10.987
flat angles P-C4'-P energy: -6.245
tors. eta vs tors. theta energy: 3.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -230.475144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.475144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.475144 (E_RNA)
where:
Base-Base interactions energy: -148.788
where: short stacking energy: -69.403
Base-Backbone interact. energy: -0.370
local terms energy: -81.317847
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -16.126
flat angles C4'-P-C4' energy: -12.882
flat angles P-C4'-P energy: -14.008
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: 2, replica: 9
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -200.934328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.934328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.934328 (E_RNA)
where:
Base-Base interactions energy: -132.081
where: short stacking energy: -61.187
Base-Backbone interact. energy: -0.039
local terms energy: -68.814490
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -17.073
flat angles P-C4'-P energy: -7.249
tors. eta vs tors. theta energy: -17.279
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: 3, replica: 1
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -217.606626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.606626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.606626 (E_RNA)
where:
Base-Base interactions energy: -141.746
where: short stacking energy: -74.948
Base-Backbone interact. energy: -0.015
local terms energy: -75.844834
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -11.785
flat angles C4'-P-C4' energy: -14.522
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -23.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -188.650570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.650570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.650570 (E_RNA)
where:
Base-Base interactions energy: -121.365
where: short stacking energy: -63.032
Base-Backbone interact. energy: -0.138
local terms energy: -67.147678
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -7.595
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: 164
Temperature: 1.100000
Total energy: -186.240919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.240919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.240919 (E_RNA)
where:
Base-Base interactions energy: -122.939
where: short stacking energy: -61.554
Base-Backbone interact. energy: -0.348
local terms energy: -62.954153
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -12.525
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -12.469
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: 10
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -136.168566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.168566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.168566 (E_RNA)
where:
Base-Base interactions energy: -65.694
where: short stacking energy: -44.071
Base-Backbone interact. energy: 1.480
local terms energy: -71.953667
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -11.280
tors. eta vs tors. theta energy: -13.233
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: 6
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -92.222041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.222041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.222041 (E_RNA)
where:
Base-Base interactions energy: -53.047
where: short stacking energy: -39.283
Base-Backbone interact. energy: -0.400
local terms energy: -38.775339
where:
bonds (distance) C4'-P energy: -8.469
bonds (distance) P-C4' energy: -11.781
flat angles C4'-P-C4' energy: -9.101
flat angles P-C4'-P energy: -7.051
tors. eta vs tors. theta energy: -2.373
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: 5
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -94.040795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.040795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.040795 (E_RNA)
where:
Base-Base interactions energy: -39.175
where: short stacking energy: -37.512
Base-Backbone interact. energy: -0.027
local terms energy: -54.838981
where:
bonds (distance) C4'-P energy: -11.244
bonds (distance) P-C4' energy: -10.980
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -3.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -83.565239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.565239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.565239 (E_RNA)
where:
Base-Base interactions energy: -32.668
where: short stacking energy: -30.760
Base-Backbone interact. energy: -0.056
local terms energy: -50.841391
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -9.487
flat angles C4'-P-C4' energy: -9.588
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -8.078
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: 4
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -77.839579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.839579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.839579 (E_RNA)
where:
Base-Base interactions energy: -26.947
where: short stacking energy: -24.021
Base-Backbone interact. energy: 0.968
local terms energy: -51.860544
where:
bonds (distance) C4'-P energy: -18.040
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -6.369
tors. eta vs tors. theta energy: 0.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -229.279933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.279933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.279933 (E_RNA)
where:
Base-Base interactions energy: -152.228
where: short stacking energy: -75.388
Base-Backbone interact. energy: -0.165
local terms energy: -76.886837
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -9.727
tors. eta vs tors. theta energy: -21.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -199.027435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.027435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.027435 (E_RNA)
where:
Base-Base interactions energy: -131.716
where: short stacking energy: -63.896
Base-Backbone interact. energy: -0.166
local terms energy: -67.146072
where:
bonds (distance) C4'-P energy: -9.142
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -9.430
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: 9
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -190.461163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.461163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.461163 (E_RNA)
where:
Base-Base interactions energy: -116.474
where: short stacking energy: -52.468
Base-Backbone interact. energy: -0.067
local terms energy: -73.919428
where:
bonds (distance) C4'-P energy: -14.742
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -14.938
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: 7
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -195.248196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.248196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.248196 (E_RNA)
where:
Base-Base interactions energy: -122.562
where: short stacking energy: -61.794
Base-Backbone interact. energy: -0.019
local terms energy: -72.666405
where:
bonds (distance) C4'-P energy: -12.370
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -8.616
tors. eta vs tors. theta energy: -19.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -186.899890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.899890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.899890 (E_RNA)
where:
Base-Base interactions energy: -126.510
where: short stacking energy: -65.547
Base-Backbone interact. energy: 1.054
local terms energy: -61.443631
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -9.725
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -7.226
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: 6, replica: 10
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -155.916992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.916992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.916992 (E_RNA)
where:
Base-Base interactions energy: -90.255
where: short stacking energy: -51.479
Base-Backbone interact. energy: -0.016
local terms energy: -65.646038
where:
bonds (distance) C4'-P energy: -18.056
bonds (distance) P-C4' energy: -13.382
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -8.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -102.027700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.027700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.027700 (E_RNA)
where:
Base-Base interactions energy: -54.167
where: short stacking energy: -22.918
Base-Backbone interact. energy: -0.228
local terms energy: -47.632239
where:
bonds (distance) C4'-P energy: -11.108
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -10.274
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -1.625
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: 165
Temperature: 1.250000
Total energy: -106.143981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.143981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.143981 (E_RNA)
where:
Base-Base interactions energy: -56.770
where: short stacking energy: -36.597
Base-Backbone interact. energy: -0.518
local terms energy: -48.855941
where:
bonds (distance) C4'-P energy: -9.305
bonds (distance) P-C4' energy: -11.741
flat angles C4'-P-C4' energy: -9.625
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -7.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -88.264620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.264620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.264620 (E_RNA)
where:
Base-Base interactions energy: -32.483
where: short stacking energy: -32.483
Base-Backbone interact. energy: -0.026
local terms energy: -55.755592
where:
bonds (distance) C4'-P energy: -10.440
bonds (distance) P-C4' energy: -12.098
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -10.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -83.589400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.589400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.589400 (E_RNA)
where:
Base-Base interactions energy: -44.648
where: short stacking energy: -27.400
Base-Backbone interact. energy: -0.775
local terms energy: -38.166445
where:
bonds (distance) C4'-P energy: -8.166
bonds (distance) P-C4' energy: -8.933
flat angles C4'-P-C4' energy: -11.907
flat angles P-C4'-P energy: -7.974
tors. eta vs tors. theta energy: -1.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -229.662198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.662198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.662198 (E_RNA)
where:
Base-Base interactions energy: -152.382
where: short stacking energy: -72.570
Base-Backbone interact. energy: -0.002
local terms energy: -77.278027
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -14.080
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -19.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -203.041306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.041306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.041306 (E_RNA)
where:
Base-Base interactions energy: -127.401
where: short stacking energy: -58.892
Base-Backbone interact. energy: -0.000
local terms energy: -75.639691
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -10.314
tors. eta vs tors. theta energy: -19.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -195.078069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.078069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.078069 (E_RNA)
where:
Base-Base interactions energy: -122.673
where: short stacking energy: -60.200
Base-Backbone interact. energy: -0.050
local terms energy: -72.354220
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -9.278
tors. eta vs tors. theta energy: -16.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -193.449059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.449059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.449059 (E_RNA)
where:
Base-Base interactions energy: -124.795
where: short stacking energy: -61.696
Base-Backbone interact. energy: 1.090
local terms energy: -69.743241
where:
bonds (distance) C4'-P energy: -16.821
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -11.402
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: 2
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -189.443946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.443946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.443946 (E_RNA)
where:
Base-Base interactions energy: -126.799
where: short stacking energy: -72.160
Base-Backbone interact. energy: -0.029
local terms energy: -62.616647
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -10.294
flat angles C4'-P-C4' energy: -13.024
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -17.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -140.406342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.406342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.406342 (E_RNA)
where:
Base-Base interactions energy: -86.927
where: short stacking energy: -38.486
Base-Backbone interact. energy: -0.051
local terms energy: -53.429051
where:
bonds (distance) C4'-P energy: -7.748
bonds (distance) P-C4' energy: -14.627
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -4.648
tors. eta vs tors. theta energy: -10.840
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: 6
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -98.290968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.290968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.290968 (E_RNA)
where:
Base-Base interactions energy: -37.061
where: short stacking energy: -37.061
Base-Backbone interact. energy: -0.098
local terms energy: -61.132063
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -8.034
tors. eta vs tors. theta energy: -6.653
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: 5
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -103.923868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.923868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.923868 (E_RNA)
where:
Base-Base interactions energy: -49.083
where: short stacking energy: -32.157
Base-Backbone interact. energy: 0.250
local terms energy: -55.090735
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -10.639
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -7.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -83.894547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.894547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.894547 (E_RNA)
where:
Base-Base interactions energy: -33.953
where: short stacking energy: -31.192
Base-Backbone interact. energy: -0.110
local terms energy: -49.831440
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -8.729
flat angles P-C4'-P energy: -8.920
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: 4
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -74.335324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.335324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.335324 (E_RNA)
where:
Base-Base interactions energy: -26.807
where: short stacking energy: -24.531
Base-Backbone interact. energy: -0.327
local terms energy: -47.201019
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -7.601
flat angles C4'-P-C4' energy: -12.486
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -4.147
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: 8
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -230.624524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.624524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.624524 (E_RNA)
where:
Base-Base interactions energy: -153.349
where: short stacking energy: -78.759
Base-Backbone interact. energy: -0.002
local terms energy: -77.273411
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -22.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -227.437539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.437539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.437539 (E_RNA)
where:
Base-Base interactions energy: -151.621
where: short stacking energy: -70.694
Base-Backbone interact. energy: -0.029
local terms energy: -75.787877
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -19.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -197.886070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.886070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.886070 (E_RNA)
where:
Base-Base interactions energy: -122.658
where: short stacking energy: -63.368
Base-Backbone interact. energy: -0.188
local terms energy: -75.040549
where:
bonds (distance) C4'-P energy: -17.115
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -17.208
flat angles P-C4'-P energy: -7.926
tors. eta vs tors. theta energy: -18.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -191.080583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.080583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.080583 (E_RNA)
where:
Base-Base interactions energy: -126.214
where: short stacking energy: -63.357
Base-Backbone interact. energy: -0.003
local terms energy: -64.863310
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -10.218
flat angles C4'-P-C4' energy: -10.851
flat angles P-C4'-P energy: -12.402
tors. eta vs tors. theta energy: -16.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -189.781684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.781684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.781684 (E_RNA)
where:
Base-Base interactions energy: -115.868
where: short stacking energy: -57.484
Base-Backbone interact. energy: -0.152
local terms energy: -73.761342
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -14.025
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -11.677
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: 6, replica: 10
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -161.153232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.153232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.153232 (E_RNA)
where:
Base-Base interactions energy: -92.813
where: short stacking energy: -60.061
Base-Backbone interact. energy: -0.005
local terms energy: -68.335651
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -12.692
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -16.025
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: 7, replica: 6
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -106.494099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.494099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.494099 (E_RNA)
where:
Base-Base interactions energy: -45.417
where: short stacking energy: -35.843
Base-Backbone interact. energy: -0.080
local terms energy: -60.997436
where:
bonds (distance) C4'-P energy: -16.523
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -8.777
tors. eta vs tors. theta energy: -6.548
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: 3
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -106.622968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.622968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.622968 (E_RNA)
where:
Base-Base interactions energy: -53.116
where: short stacking energy: -36.668
Base-Backbone interact. energy: -0.021
local terms energy: -53.485514
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -4.436
tors. eta vs tors. theta energy: -7.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -77.624483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.624483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.624483 (E_RNA)
where:
Base-Base interactions energy: -22.774
where: short stacking energy: -19.312
Base-Backbone interact. energy: -0.637
local terms energy: -54.213151
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -5.862
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: 4
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -86.933642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.933642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.933642 (E_RNA)
where:
Base-Base interactions energy: -34.543
where: short stacking energy: -31.561
Base-Backbone interact. energy: -0.952
local terms energy: -51.438641
where:
bonds (distance) C4'-P energy: -7.731
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -10.976
flat angles P-C4'-P energy: -12.309
tors. eta vs tors. theta energy: -7.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -229.613356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.613356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.613356 (E_RNA)
where:
Base-Base interactions energy: -148.478
where: short stacking energy: -73.523
Base-Backbone interact. energy: -0.058
local terms energy: -81.077347
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -20.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -224.813737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.813737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.813737 (E_RNA)
where:
Base-Base interactions energy: -152.445
where: short stacking energy: -72.648
Base-Backbone interact. energy: -0.156
local terms energy: -72.211845
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -17.731
flat angles P-C4'-P energy: -7.926
tors. eta vs tors. theta energy: -16.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -199.614120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.614120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.614120 (E_RNA)
where:
Base-Base interactions energy: -130.606
where: short stacking energy: -65.688
Base-Backbone interact. energy: -0.004
local terms energy: -69.003867
where:
bonds (distance) C4'-P energy: -10.082
bonds (distance) P-C4' energy: -12.969
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -19.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -189.254967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.254967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.254967 (E_RNA)
where:
Base-Base interactions energy: -122.238
where: short stacking energy: -63.271
Base-Backbone interact. energy: -0.169
local terms energy: -66.848321
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -6.715
tors. eta vs tors. theta energy: -15.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -157.224887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.224887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.224887 (E_RNA)
where:
Base-Base interactions energy: -87.816
where: short stacking energy: -53.553
Base-Backbone interact. energy: -0.004
local terms energy: -69.404273
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -7.313
tors. eta vs tors. theta energy: -13.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -172.492624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.492624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.492624 (E_RNA)
where:
Base-Base interactions energy: -108.127
where: short stacking energy: -54.591
Base-Backbone interact. energy: -0.102
local terms energy: -64.264185
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -11.376
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -12.698
tors. eta vs tors. theta energy: -14.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -88.397337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.397337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.397337 (E_RNA)
where:
Base-Base interactions energy: -39.420
where: short stacking energy: -26.839
Base-Backbone interact. energy: -0.017
local terms energy: -48.961057
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -11.341
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: 0.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -152.337847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.337847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.337847 (E_RNA)
where:
Base-Base interactions energy: -102.857
where: short stacking energy: -39.138
Base-Backbone interact. energy: -0.188
local terms energy: -49.292744
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -12.326
flat angles P-C4'-P energy: -4.355
tors. eta vs tors. theta energy: -3.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -85.343734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.343734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.343734 (E_RNA)
where:
Base-Base interactions energy: -27.234
where: short stacking energy: -25.825
Base-Backbone interact. energy: -0.390
local terms energy: -57.720028
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -7.431
tors. eta vs tors. theta energy: -4.656
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: 168
Temperature: 1.350000
Total energy: -77.054730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.054730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.054730 (E_RNA)
where:
Base-Base interactions energy: -20.675
where: short stacking energy: -19.590
Base-Backbone interact. energy: -0.129
local terms energy: -56.250904
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -1.904
tors. eta vs tors. theta energy: -7.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -233.091786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.091786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.091786 (E_RNA)
where:
Base-Base interactions energy: -151.536
where: short stacking energy: -75.313
Base-Backbone interact. energy: -0.002
local terms energy: -81.554251
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -18.438
flat angles P-C4'-P energy: -8.891
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: 1
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -232.071511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.071511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.071511 (E_RNA)
where:
Base-Base interactions energy: -151.236
where: short stacking energy: -72.166
Base-Backbone interact. energy: -0.555
local terms energy: -80.280069
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -21.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -210.669088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.669088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.669088 (E_RNA)
where:
Base-Base interactions energy: -136.550
where: short stacking energy: -68.665
Base-Backbone interact. energy: -0.017
local terms energy: -74.102235
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -13.402
tors. eta vs tors. theta energy: -14.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -184.538344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.538344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.538344 (E_RNA)
where:
Base-Base interactions energy: -119.899
where: short stacking energy: -59.639
Base-Backbone interact. energy: -0.265
local terms energy: -64.374202
where:
bonds (distance) C4'-P energy: -16.273
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -15.824
flat angles P-C4'-P energy: -2.633
tors. eta vs tors. theta energy: -14.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -145.538636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.538636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.538636 (E_RNA)
where:
Base-Base interactions energy: -85.945
where: short stacking energy: -48.503
Base-Backbone interact. energy: -0.543
local terms energy: -59.050702
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -11.604
flat angles P-C4'-P energy: -6.458
tors. eta vs tors. theta energy: -12.139
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: 9
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -178.109768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.109768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.109768 (E_RNA)
where:
Base-Base interactions energy: -115.590
where: short stacking energy: -51.391
Base-Backbone interact. energy: -0.223
local terms energy: -62.296963
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -11.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -93.288610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.288610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.288610 (E_RNA)
where:
Base-Base interactions energy: -39.438
where: short stacking energy: -33.651
Base-Backbone interact. energy: -0.011
local terms energy: -53.839756
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -13.514
flat angles P-C4'-P energy: -4.310
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: 8, replica: 6
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -130.256416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.256416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.256416 (E_RNA)
where:
Base-Base interactions energy: -75.887
where: short stacking energy: -40.464
Base-Backbone interact. energy: -0.194
local terms energy: -54.174674
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -16.549
flat angles C4'-P-C4' energy: -13.305
flat angles P-C4'-P energy: -3.593
tors. eta vs tors. theta energy: -7.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -94.787063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.787063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.787063 (E_RNA)
where:
Base-Base interactions energy: -39.705
where: short stacking energy: -34.735
Base-Backbone interact. energy: 0.905
local terms energy: -55.986970
where:
bonds (distance) C4'-P energy: -11.747
bonds (distance) P-C4' energy: -17.285
flat angles C4'-P-C4' energy: -11.615
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -6.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -80.568891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.568891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.568891 (E_RNA)
where:
Base-Base interactions energy: -28.688
where: short stacking energy: -28.688
Base-Backbone interact. energy: -0.509
local terms energy: -51.371599
where:
bonds (distance) C4'-P energy: -13.687
bonds (distance) P-C4' energy: -13.416
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -10.320
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: 1
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -238.190977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.190977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.190977 (E_RNA)
where:
Base-Base interactions energy: -151.963
where: short stacking energy: -78.307
Base-Backbone interact. energy: 0.700
local terms energy: -86.928436
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -17.838
flat angles P-C4'-P energy: -14.400
tors. eta vs tors. theta energy: -21.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -226.158919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.158919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.158919 (E_RNA)
where:
Base-Base interactions energy: -151.003
where: short stacking energy: -68.812
Base-Backbone interact. energy: -0.001
local terms energy: -75.155430
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -20.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -197.821628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.821628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.821628 (E_RNA)
where:
Base-Base interactions energy: -133.773
where: short stacking energy: -56.358
Base-Backbone interact. energy: -0.073
local terms energy: -63.974717
where:
bonds (distance) C4'-P energy: -9.181
bonds (distance) P-C4' energy: -9.137
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -13.400
tors. eta vs tors. theta energy: -15.255
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: 2
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -182.781081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.781081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.781081 (E_RNA)
where:
Base-Base interactions energy: -121.696
where: short stacking energy: -58.998
Base-Backbone interact. energy: -0.357
local terms energy: -60.728543
where:
bonds (distance) C4'-P energy: -9.822
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -12.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -183.203787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.203787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.203787 (E_RNA)
where:
Base-Base interactions energy: -113.870
where: short stacking energy: -58.780
Base-Backbone interact. energy: -0.099
local terms energy: -69.234208
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -7.063
tors. eta vs tors. theta energy: -13.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -154.989446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.989446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.989446 (E_RNA)
where:
Base-Base interactions energy: -95.873
where: short stacking energy: -54.495
Base-Backbone interact. energy: -0.113
local terms energy: -59.003474
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -18.933
flat angles C4'-P-C4' energy: -10.184
flat angles P-C4'-P energy: -9.169
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: 7, replica: 6
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -144.639549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.639549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.639549 (E_RNA)
where:
Base-Base interactions energy: -86.573
where: short stacking energy: -45.668
Base-Backbone interact. energy: 1.508
local terms energy: -59.574212
where:
bonds (distance) C4'-P energy: -10.613
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -10.513
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -13.563
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: 3
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -104.261328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.261328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.261328 (E_RNA)
where:
Base-Base interactions energy: -56.722
where: short stacking energy: -23.556
Base-Backbone interact. energy: 1.116
local terms energy: -48.654902
where:
bonds (distance) C4'-P energy: -10.680
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -7.503
tors. eta vs tors. theta energy: -1.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -74.863439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.863439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.863439 (E_RNA)
where:
Base-Base interactions energy: -34.019
where: short stacking energy: -18.188
Base-Backbone interact. energy: -0.242
local terms energy: -40.602593
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -11.569
flat angles P-C4'-P energy: -6.004
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: 4
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -92.659462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.659462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.659462 (E_RNA)
where:
Base-Base interactions energy: -32.006
where: short stacking energy: -32.006
Base-Backbone interact. energy: -0.253
local terms energy: -60.400771
where:
bonds (distance) C4'-P energy: -9.395
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -12.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -234.023747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.023747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.023747 (E_RNA)
where:
Base-Base interactions energy: -157.630
where: short stacking energy: -74.281
Base-Backbone interact. energy: -0.180
local terms energy: -76.213581
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -11.158
tors. eta vs tors. theta energy: -19.040
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: 8
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -231.667950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.667950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.667950 (E_RNA)
where:
Base-Base interactions energy: -149.375
where: short stacking energy: -74.780
Base-Backbone interact. energy: -0.001
local terms energy: -82.291898
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -13.887
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: 3, replica: 7
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -195.486005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.486005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.486005 (E_RNA)
where:
Base-Base interactions energy: -127.938
where: short stacking energy: -64.657
Base-Backbone interact. energy: -0.112
local terms energy: -67.435953
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -13.767
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: 9
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -198.582105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.582105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.582105 (E_RNA)
where:
Base-Base interactions energy: -129.792
where: short stacking energy: -72.379
Base-Backbone interact. energy: -0.000
local terms energy: -68.789204
where:
bonds (distance) C4'-P energy: -9.813
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -16.403
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -19.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -180.403221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.403221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.403221 (E_RNA)
where:
Base-Base interactions energy: -126.170
where: short stacking energy: -43.654
Base-Backbone interact. energy: -0.099
local terms energy: -54.133704
where:
bonds (distance) C4'-P energy: -10.769
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -8.350
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -7.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -152.877729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.877729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.877729 (E_RNA)
where:
Base-Base interactions energy: -91.215
where: short stacking energy: -55.060
Base-Backbone interact. energy: -0.268
local terms energy: -61.395077
where:
bonds (distance) C4'-P energy: -10.414
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -13.004
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: 6
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -140.927793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.927793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.927793 (E_RNA)
where:
Base-Base interactions energy: -81.892
where: short stacking energy: -38.143
Base-Backbone interact. energy: -0.367
local terms energy: -58.668932
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -9.627
flat angles C4'-P-C4' energy: -16.613
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -8.506
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: 3
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -136.136152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.136152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.136152 (E_RNA)
where:
Base-Base interactions energy: -75.223
where: short stacking energy: -42.055
Base-Backbone interact. energy: 0.012
local terms energy: -60.924909
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -15.340
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -4.274
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: 171
Temperature: 1.300000
Total energy: -78.856169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.856169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.856169 (E_RNA)
where:
Base-Base interactions energy: -29.047
where: short stacking energy: -20.200
Base-Backbone interact. energy: -0.513
local terms energy: -49.296723
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -16.271
flat angles C4'-P-C4' energy: -10.416
flat angles P-C4'-P energy: -8.276
tors. eta vs tors. theta energy: -0.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -78.133226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.133226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.133226 (E_RNA)
where:
Base-Base interactions energy: -27.359
where: short stacking energy: -24.648
Base-Backbone interact. energy: 1.191
local terms energy: -51.965033
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -5.871
tors. eta vs tors. theta energy: -0.040
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: 8
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -227.020412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.020412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.020412 (E_RNA)
where:
Base-Base interactions energy: -152.020
where: short stacking energy: -66.212
Base-Backbone interact. energy: -0.634
local terms energy: -74.366138
where:
bonds (distance) C4'-P energy: -11.702
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -12.238
flat angles P-C4'-P energy: -12.433
tors. eta vs tors. theta energy: -21.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -228.841516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.841516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.841516 (E_RNA)
where:
Base-Base interactions energy: -148.659
where: short stacking energy: -75.996
Base-Backbone interact. energy: -0.018
local terms energy: -80.164230
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -17.655
flat angles P-C4'-P energy: -10.803
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: 3, replica: 9
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -207.959537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.959537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.959537 (E_RNA)
where:
Base-Base interactions energy: -138.111
where: short stacking energy: -62.168
Base-Backbone interact. energy: -0.285
local terms energy: -69.563228
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -11.473
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -15.607
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: 4, replica: 7
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -189.683726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.683726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.683726 (E_RNA)
where:
Base-Base interactions energy: -125.634
where: short stacking energy: -48.119
Base-Backbone interact. energy: -0.126
local terms energy: -63.923228
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: -9.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -183.505254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.505254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.505254 (E_RNA)
where:
Base-Base interactions energy: -128.623
where: short stacking energy: -63.510
Base-Backbone interact. energy: -0.097
local terms energy: -54.785283
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: 0.068
tors. eta vs tors. theta energy: -7.934
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: 10
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -140.197262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.197262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.197262 (E_RNA)
where:
Base-Base interactions energy: -76.078
where: short stacking energy: -45.615
Base-Backbone interact. energy: -0.323
local terms energy: -63.795781
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -10.351
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: 7, replica: 3
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -123.007785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.007785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.007785 (E_RNA)
where:
Base-Base interactions energy: -60.444
where: short stacking energy: -46.407
Base-Backbone interact. energy: -0.698
local terms energy: -61.866242
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -10.707
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: 8, replica: 6
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -142.504569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.504569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.504569 (E_RNA)
where:
Base-Base interactions energy: -83.786
where: short stacking energy: -33.140
Base-Backbone interact. energy: 0.356
local terms energy: -59.074882
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -11.936
flat angles P-C4'-P energy: -11.701
tors. eta vs tors. theta energy: -6.134
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: 4
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -80.750704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.750704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.750704 (E_RNA)
where:
Base-Base interactions energy: -39.630
where: short stacking energy: -32.528
Base-Backbone interact. energy: -0.492
local terms energy: -40.629463
where:
bonds (distance) C4'-P energy: -9.806
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -10.250
flat angles P-C4'-P energy: -4.761
tors. eta vs tors. theta energy: -2.911
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: 172
Temperature: 1.350000
Total energy: -84.636457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.636457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.636457 (E_RNA)
where:
Base-Base interactions energy: -36.472
where: short stacking energy: -34.683
Base-Backbone interact. energy: -0.031
local terms energy: -48.133867
where:
bonds (distance) C4'-P energy: -8.991
bonds (distance) P-C4' energy: -8.217
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -7.180
tors. eta vs tors. theta energy: -9.773
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: 8
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -218.262752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.262752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.262752 (E_RNA)
where:
Base-Base interactions energy: -144.598
where: short stacking energy: -66.495
Base-Backbone interact. energy: -0.001
local terms energy: -73.663468
where:
bonds (distance) C4'-P energy: -10.355
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -17.912
flat angles P-C4'-P energy: -11.723
tors. eta vs tors. theta energy: -16.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -224.979123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.979123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.979123 (E_RNA)
where:
Base-Base interactions energy: -152.693
where: short stacking energy: -67.868
Base-Backbone interact. energy: -0.004
local terms energy: -72.282859
where:
bonds (distance) C4'-P energy: -12.639
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -5.587
tors. eta vs tors. theta energy: -23.430
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: 3, replica: 9
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -215.643987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.643987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.643987 (E_RNA)
where:
Base-Base interactions energy: -146.215
where: short stacking energy: -72.837
Base-Backbone interact. energy: 0.261
local terms energy: -69.689805
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -11.756
flat angles P-C4'-P energy: -7.272
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: 4, replica: 2
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -199.985505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.985505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.985505 (E_RNA)
where:
Base-Base interactions energy: -130.597
where: short stacking energy: -66.086
Base-Backbone interact. energy: -0.040
local terms energy: -69.349110
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -7.332
tors. eta vs tors. theta energy: -18.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -190.879273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.879273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.879273 (E_RNA)
where:
Base-Base interactions energy: -122.229
where: short stacking energy: -57.790
Base-Backbone interact. energy: -0.050
local terms energy: -68.600774
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -14.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -145.923879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.923879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.923879 (E_RNA)
where:
Base-Base interactions energy: -87.270
where: short stacking energy: -53.780
Base-Backbone interact. energy: -0.066
local terms energy: -58.587938
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -10.898
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -8.842
tors. eta vs tors. theta energy: -10.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -90.088873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.088873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.088873 (E_RNA)
where:
Base-Base interactions energy: -29.230
where: short stacking energy: -29.230
Base-Backbone interact. energy: -0.064
local terms energy: -60.794990
where:
bonds (distance) C4'-P energy: -18.255
bonds (distance) P-C4' energy: -14.059
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -5.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -121.166146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.166146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.166146 (E_RNA)
where:
Base-Base interactions energy: -60.436
where: short stacking energy: -22.170
Base-Backbone interact. energy: -0.690
local terms energy: -60.039659
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -12.517
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -5.428
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: 4
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -87.967925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.967925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.967925 (E_RNA)
where:
Base-Base interactions energy: -31.718
where: short stacking energy: -31.718
Base-Backbone interact. energy: -0.002
local terms energy: -56.247862
where:
bonds (distance) C4'-P energy: -12.230
bonds (distance) P-C4' energy: -12.826
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -8.251
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: 5
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -77.285782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.285782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.285782 (E_RNA)
where:
Base-Base interactions energy: -38.418
where: short stacking energy: -19.991
Base-Backbone interact. energy: -0.229
local terms energy: -38.639134
where:
bonds (distance) C4'-P energy: -10.752
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -9.293
flat angles P-C4'-P energy: -5.595
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: 1
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -225.677122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.677122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.677122 (E_RNA)
where:
Base-Base interactions energy: -154.196
where: short stacking energy: -74.761
Base-Backbone interact. energy: -0.588
local terms energy: -70.892903
where:
bonds (distance) C4'-P energy: -12.850
bonds (distance) P-C4' energy: -12.214
flat angles C4'-P-C4' energy: -11.942
flat angles P-C4'-P energy: -12.602
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: 2, replica: 8
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -231.818591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.818591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.818591 (E_RNA)
where:
Base-Base interactions energy: -149.325
where: short stacking energy: -79.541
Base-Backbone interact. energy: -0.007
local terms energy: -82.487323
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -17.774
flat angles P-C4'-P energy: -12.862
tors. eta vs tors. theta energy: -21.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -191.173609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.173609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.173609 (E_RNA)
where:
Base-Base interactions energy: -130.180
where: short stacking energy: -67.314
Base-Backbone interact. energy: -0.038
local terms energy: -60.956350
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -8.992
flat angles C4'-P-C4' energy: -11.324
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -14.656
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: 9
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -201.138146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.138146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.138146 (E_RNA)
where:
Base-Base interactions energy: -131.982
where: short stacking energy: -65.762
Base-Backbone interact. energy: 0.409
local terms energy: -69.565166
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -15.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -178.683485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.683485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.683485 (E_RNA)
where:
Base-Base interactions energy: -117.765
where: short stacking energy: -53.736
Base-Backbone interact. energy: -0.028
local terms energy: -60.889972
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -10.517
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -10.234
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: 6, replica: 10
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -145.463482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.463482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.463482 (E_RNA)
where:
Base-Base interactions energy: -86.408
where: short stacking energy: -55.356
Base-Backbone interact. energy: -0.003
local terms energy: -59.052342
where:
bonds (distance) C4'-P energy: -7.680
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -14.923
flat angles P-C4'-P energy: -10.093
tors. eta vs tors. theta energy: -13.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -142.406984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.406984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.406984 (E_RNA)
where:
Base-Base interactions energy: -85.937
where: short stacking energy: -49.772
Base-Backbone interact. energy: -0.031
local terms energy: -56.439826
where:
bonds (distance) C4'-P energy: -16.699
bonds (distance) P-C4' energy: -11.143
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -4.904
tors. eta vs tors. theta energy: -9.770
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: 3
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -89.152010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.152010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.152010 (E_RNA)
where:
Base-Base interactions energy: -35.175
where: short stacking energy: -35.175
Base-Backbone interact. energy: -0.024
local terms energy: -53.953493
where:
bonds (distance) C4'-P energy: -10.703
bonds (distance) P-C4' energy: -14.260
flat angles C4'-P-C4' energy: -12.743
flat angles P-C4'-P energy: -11.215
tors. eta vs tors. theta energy: -5.032
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: 9, replica: 5
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -79.727935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.727935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.727935 (E_RNA)
where:
Base-Base interactions energy: -28.286
where: short stacking energy: -28.286
Base-Backbone interact. energy: -0.080
local terms energy: -51.361141
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -5.395
tors. eta vs tors. theta energy: -3.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -74.509027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.509027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.509027 (E_RNA)
where:
Base-Base interactions energy: -28.694
where: short stacking energy: -24.834
Base-Backbone interact. energy: -0.215
local terms energy: -45.599701
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -9.457
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: -2.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -224.755115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.755115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.755115 (E_RNA)
where:
Base-Base interactions energy: -152.911
where: short stacking energy: -65.039
Base-Backbone interact. energy: -0.043
local terms energy: -71.801014
where:
bonds (distance) C4'-P energy: -14.875
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -16.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -191.682570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.682570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.682570 (E_RNA)
where:
Base-Base interactions energy: -124.134
where: short stacking energy: -64.055
Base-Backbone interact. energy: -0.011
local terms energy: -67.537458
where:
bonds (distance) C4'-P energy: -8.556
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -11.767
flat angles P-C4'-P energy: -14.077
tors. eta vs tors. theta energy: -15.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -219.408732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.408732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.408732 (E_RNA)
where:
Base-Base interactions energy: -147.810
where: short stacking energy: -70.505
Base-Backbone interact. energy: -0.145
local terms energy: -71.453277
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -11.908
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -17.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -189.586827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.586827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.586827 (E_RNA)
where:
Base-Base interactions energy: -120.261
where: short stacking energy: -56.325
Base-Backbone interact. energy: -0.013
local terms energy: -69.312887
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -6.455
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: 5, replica: 9
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -194.857098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.857098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.857098 (E_RNA)
where:
Base-Base interactions energy: -137.955
where: short stacking energy: -60.943
Base-Backbone interact. energy: -0.265
local terms energy: -56.637905
where:
bonds (distance) C4'-P energy: -9.704
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -11.439
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -11.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -150.043540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.043540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.043540 (E_RNA)
where:
Base-Base interactions energy: -82.388
where: short stacking energy: -50.924
Base-Backbone interact. energy: 1.430
local terms energy: -69.085876
where:
bonds (distance) C4'-P energy: -10.137
bonds (distance) P-C4' energy: -18.659
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -11.291
tors. eta vs tors. theta energy: -11.467
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: 10
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -147.461819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.461819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.461819 (E_RNA)
where:
Base-Base interactions energy: -92.544
where: short stacking energy: -40.150
Base-Backbone interact. energy: -0.412
local terms energy: -54.505673
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -5.366
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: 8, replica: 5
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -84.755462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.755462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.755462 (E_RNA)
where:
Base-Base interactions energy: -38.536
where: short stacking energy: -30.036
Base-Backbone interact. energy: -0.236
local terms energy: -45.983882
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -12.035
flat angles C4'-P-C4' energy: -10.178
flat angles P-C4'-P energy: -3.656
tors. eta vs tors. theta energy: -6.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -80.805157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.805157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.805157 (E_RNA)
where:
Base-Base interactions energy: -31.073
where: short stacking energy: -22.317
Base-Backbone interact. energy: -0.030
local terms energy: -49.702358
where:
bonds (distance) C4'-P energy: -10.380
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -9.838
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -1.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -77.170176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.170176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.170176 (E_RNA)
where:
Base-Base interactions energy: -21.348
where: short stacking energy: -21.348
Base-Backbone interact. energy: -0.538
local terms energy: -55.284578
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -17.571
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: 2.900
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: 1
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -225.897740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.897740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.897740 (E_RNA)
where:
Base-Base interactions energy: -144.428
where: short stacking energy: -67.296
Base-Backbone interact. energy: -0.042
local terms energy: -81.427324
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -21.524
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: 2, replica: 2
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -211.184322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.184322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.184322 (E_RNA)
where:
Base-Base interactions energy: -140.469
where: short stacking energy: -61.681
Base-Backbone interact. energy: -0.026
local terms energy: -70.688836
where:
bonds (distance) C4'-P energy: -10.468
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -9.238
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: 3, replica: 8
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -223.109517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.109517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.109517 (E_RNA)
where:
Base-Base interactions energy: -141.694
where: short stacking energy: -67.614
Base-Backbone interact. energy: -0.001
local terms energy: -81.414822
where:
bonds (distance) C4'-P energy: -15.836
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -17.125
flat angles P-C4'-P energy: -13.645
tors. eta vs tors. theta energy: -20.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -194.999904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.999904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.999904 (E_RNA)
where:
Base-Base interactions energy: -121.097
where: short stacking energy: -57.703
Base-Backbone interact. energy: -0.078
local terms energy: -73.824649
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -12.408
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: 5, replica: 6
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -161.684040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.684040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.684040 (E_RNA)
where:
Base-Base interactions energy: -91.999
where: short stacking energy: -53.369
Base-Backbone interact. energy: -0.228
local terms energy: -69.457213
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -17.717
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -10.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -177.081753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.081753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.081753 (E_RNA)
where:
Base-Base interactions energy: -110.066
where: short stacking energy: -49.480
Base-Backbone interact. energy: -0.007
local terms energy: -67.008546
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -15.932
flat angles C4'-P-C4' energy: -10.415
flat angles P-C4'-P energy: -7.036
tors. eta vs tors. theta energy: -18.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -121.867811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.867811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.867811 (E_RNA)
where:
Base-Base interactions energy: -72.028
where: short stacking energy: -28.593
Base-Backbone interact. energy: -0.175
local terms energy: -49.664534
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -13.530
flat angles C4'-P-C4' energy: -11.544
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: -1.953
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: 8, replica: 5
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -102.664474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.664474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.664474 (E_RNA)
where:
Base-Base interactions energy: -49.653
where: short stacking energy: -28.147
Base-Backbone interact. energy: 1.197
local terms energy: -54.208273
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -6.503
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: 9, replica: 3
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -86.305980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.305980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.305980 (E_RNA)
where:
Base-Base interactions energy: -28.710
where: short stacking energy: -19.609
Base-Backbone interact. energy: -0.027
local terms energy: -57.568335
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -13.641
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -1.642
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: 4
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -83.483327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.483327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.483327 (E_RNA)
where:
Base-Base interactions energy: -30.287
where: short stacking energy: -30.020
Base-Backbone interact. energy: 0.255
local terms energy: -53.451108
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -12.153
flat angles C4'-P-C4' energy: -8.807
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: -5.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -235.833852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.833852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.833852 (E_RNA)
where:
Base-Base interactions energy: -151.608
where: short stacking energy: -74.393
Base-Backbone interact. energy: -0.447
local terms energy: -83.779067
where:
bonds (distance) C4'-P energy: -16.105
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -18.006
flat angles P-C4'-P energy: -11.223
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: 8
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -229.434876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.434876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.434876 (E_RNA)
where:
Base-Base interactions energy: -152.360
where: short stacking energy: -73.375
Base-Backbone interact. energy: -0.011
local terms energy: -77.063943
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -7.100
tors. eta vs tors. theta energy: -21.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -205.150762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.150762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.150762 (E_RNA)
where:
Base-Base interactions energy: -146.439
where: short stacking energy: -65.276
Base-Backbone interact. energy: -0.200
local terms energy: -58.511961
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -11.881
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -5.010
tors. eta vs tors. theta energy: -14.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -159.148789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.148789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.148789 (E_RNA)
where:
Base-Base interactions energy: -96.808
where: short stacking energy: -55.196
Base-Backbone interact. energy: -0.076
local terms energy: -62.264326
where:
bonds (distance) C4'-P energy: -10.265
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -14.780
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -13.434
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: 177
Temperature: 1.100000
Total energy: -185.800301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.800301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.800301 (E_RNA)
where:
Base-Base interactions energy: -116.439
where: short stacking energy: -59.499
Base-Backbone interact. energy: -0.062
local terms energy: -69.298590
where:
bonds (distance) C4'-P energy: -12.164
bonds (distance) P-C4' energy: -12.990
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -16.045
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: 10
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -122.565650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.565650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.565650 (E_RNA)
where:
Base-Base interactions energy: -71.418
where: short stacking energy: -40.730
Base-Backbone interact. energy: -0.354
local terms energy: -50.793344
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -10.067
flat angles C4'-P-C4' energy: -11.856
flat angles P-C4'-P energy: -9.515
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: 7, replica: 9
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -154.683898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.683898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.683898 (E_RNA)
where:
Base-Base interactions energy: -93.322
where: short stacking energy: -56.520
Base-Backbone interact. energy: -0.809
local terms energy: -60.553058
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -13.220
flat angles C4'-P-C4' energy: -15.896
flat angles P-C4'-P energy: -6.462
tors. eta vs tors. theta energy: -9.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -87.930922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.930922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.930922 (E_RNA)
where:
Base-Base interactions energy: -38.741
where: short stacking energy: -34.798
Base-Backbone interact. energy: 0.322
local terms energy: -49.511271
where:
bonds (distance) C4'-P energy: -7.756
bonds (distance) P-C4' energy: -15.447
flat angles C4'-P-C4' energy: -12.395
flat angles P-C4'-P energy: -4.844
tors. eta vs tors. theta energy: -9.069
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: 177
Temperature: 1.300000
Total energy: -78.363408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.363408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.363408 (E_RNA)
where:
Base-Base interactions energy: -25.572
where: short stacking energy: -25.572
Base-Backbone interact. energy: -0.039
local terms energy: -52.752970
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -6.014
tors. eta vs tors. theta energy: -5.966
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: 4
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -77.582258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.582258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.582258 (E_RNA)
where:
Base-Base interactions energy: -35.336
where: short stacking energy: -17.471
Base-Backbone interact. energy: 1.877
local terms energy: -44.123766
where:
bonds (distance) C4'-P energy: -9.226
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -5.624
tors. eta vs tors. theta energy: -0.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -234.170903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.170903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.170903 (E_RNA)
where:
Base-Base interactions energy: -154.066
where: short stacking energy: -79.785
Base-Backbone interact. energy: -0.001
local terms energy: -80.103962
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -13.388
tors. eta vs tors. theta energy: -21.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -224.309024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.309024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.309024 (E_RNA)
where:
Base-Base interactions energy: -151.425
where: short stacking energy: -67.073
Base-Backbone interact. energy: -0.006
local terms energy: -72.877290
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -12.981
flat angles C4'-P-C4' energy: -16.893
flat angles P-C4'-P energy: -10.904
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: 6
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -169.807094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.807094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.807094 (E_RNA)
where:
Base-Base interactions energy: -100.955
where: short stacking energy: -56.634
Base-Backbone interact. energy: -0.110
local terms energy: -68.742481
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -12.858
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: 2
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -185.937105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.937105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.937105 (E_RNA)
where:
Base-Base interactions energy: -122.314
where: short stacking energy: -57.775
Base-Backbone interact. energy: -0.118
local terms energy: -63.504361
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -12.442
flat angles P-C4'-P energy: -7.234
tors. eta vs tors. theta energy: -12.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -185.119204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.119204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.119204 (E_RNA)
where:
Base-Base interactions energy: -118.722
where: short stacking energy: -64.010
Base-Backbone interact. energy: 0.428
local terms energy: -66.824305
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -12.228
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -13.801
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: 10
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -107.045462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.045462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.045462 (E_RNA)
where:
Base-Base interactions energy: -47.020
where: short stacking energy: -44.912
Base-Backbone interact. energy: -0.177
local terms energy: -59.849121
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -11.306
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: 7, replica: 9
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -173.300431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.300431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.300431 (E_RNA)
where:
Base-Base interactions energy: -112.239
where: short stacking energy: -52.398
Base-Backbone interact. energy: -0.002
local terms energy: -61.059743
where:
bonds (distance) C4'-P energy: -13.057
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -12.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -119.321430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.321430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.321430 (E_RNA)
where:
Base-Base interactions energy: -68.874
where: short stacking energy: -39.352
Base-Backbone interact. energy: -0.305
local terms energy: -50.143074
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -14.683
flat angles C4'-P-C4' energy: -11.234
flat angles P-C4'-P energy: -5.420
tors. eta vs tors. theta energy: -4.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -85.375815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.375815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.375815 (E_RNA)
where:
Base-Base interactions energy: -35.048
where: short stacking energy: -28.767
Base-Backbone interact. energy: -0.123
local terms energy: -50.204209
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -12.767
flat angles C4'-P-C4' energy: -13.347
flat angles P-C4'-P energy: -7.193
tors. eta vs tors. theta energy: -3.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -83.229637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.229637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.229637 (E_RNA)
where:
Base-Base interactions energy: -32.662
where: short stacking energy: -31.699
Base-Backbone interact. energy: 0.875
local terms energy: -51.442476
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -13.158
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -0.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -233.113180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.113180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.113180 (E_RNA)
where:
Base-Base interactions energy: -158.522
where: short stacking energy: -80.485
Base-Backbone interact. energy: -0.002
local terms energy: -74.589240
where:
bonds (distance) C4'-P energy: -17.241
bonds (distance) P-C4' energy: -10.968
flat angles C4'-P-C4' energy: -15.093
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -20.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -226.033176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.033176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.033176 (E_RNA)
where:
Base-Base interactions energy: -149.540
where: short stacking energy: -68.571
Base-Backbone interact. energy: -0.003
local terms energy: -76.490373
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -18.104
flat angles P-C4'-P energy: -7.203
tors. eta vs tors. theta energy: -22.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -168.128633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.128633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.128633 (E_RNA)
where:
Base-Base interactions energy: -101.568
where: short stacking energy: -62.144
Base-Backbone interact. energy: -0.276
local terms energy: -66.283943
where:
bonds (distance) C4'-P energy: -10.037
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -15.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -186.731245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.731245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.731245 (E_RNA)
where:
Base-Base interactions energy: -117.989
where: short stacking energy: -52.808
Base-Backbone interact. energy: -0.581
local terms energy: -68.162107
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -16.017
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -11.977
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: 5, replica: 2
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -170.683876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.683876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.683876 (E_RNA)
where:
Base-Base interactions energy: -108.944
where: short stacking energy: -47.079
Base-Backbone interact. energy: -0.171
local terms energy: -61.569002
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -12.297
flat angles C4'-P-C4' energy: -15.098
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: -8.576
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: 6, replica: 9
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -172.221891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.221891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.221891 (E_RNA)
where:
Base-Base interactions energy: -112.625
where: short stacking energy: -53.086
Base-Backbone interact. energy: -0.160
local terms energy: -59.437037
where:
bonds (distance) C4'-P energy: -7.553
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -14.584
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: 10
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -94.424390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.424390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.424390 (E_RNA)
where:
Base-Base interactions energy: -42.084
where: short stacking energy: -36.340
Base-Backbone interact. energy: -0.032
local terms energy: -52.308954
where:
bonds (distance) C4'-P energy: -7.045
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: -5.800
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: 179
Temperature: 1.250000
Total energy: -76.775057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.775057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.775057 (E_RNA)
where:
Base-Base interactions energy: -29.386
where: short stacking energy: -28.938
Base-Backbone interact. energy: -0.199
local terms energy: -47.189545
where:
bonds (distance) C4'-P energy: -9.806
bonds (distance) P-C4' energy: -11.277
flat angles C4'-P-C4' energy: -11.340
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -6.079
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: 5
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -117.677846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.677846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.677846 (E_RNA)
where:
Base-Base interactions energy: -64.481
where: short stacking energy: -40.690
Base-Backbone interact. energy: 0.101
local terms energy: -53.298252
where:
bonds (distance) C4'-P energy: -9.706
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -12.894
flat angles P-C4'-P energy: -3.857
tors. eta vs tors. theta energy: -11.095
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: 179
Temperature: 1.350000
Total energy: -75.530522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.530522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.530522 (E_RNA)
where:
Base-Base interactions energy: -32.364
where: short stacking energy: -22.233
Base-Backbone interact. energy: -0.946
local terms energy: -42.220652
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -2.148
tors. eta vs tors. theta energy: -1.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -229.748591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.748591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.748591 (E_RNA)
where:
Base-Base interactions energy: -154.376
where: short stacking energy: -78.409
Base-Backbone interact. energy: -0.106
local terms energy: -75.266904
where:
bonds (distance) C4'-P energy: -14.093
bonds (distance) P-C4' energy: -10.598
flat angles C4'-P-C4' energy: -18.237
flat angles P-C4'-P energy: -11.424
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: 2, replica: 8
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -214.146541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.146541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.146541 (E_RNA)
where:
Base-Base interactions energy: -131.029
where: short stacking energy: -65.895
Base-Backbone interact. energy: -0.066
local terms energy: -83.050870
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -17.529
flat angles P-C4'-P energy: -12.976
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: 7
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -195.041295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.041295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.041295 (E_RNA)
where:
Base-Base interactions energy: -131.749
where: short stacking energy: -66.137
Base-Backbone interact. energy: -0.001
local terms energy: -63.291422
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -17.036
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -5.472
tors. eta vs tors. theta energy: -15.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -176.452312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.452312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.452312 (E_RNA)
where:
Base-Base interactions energy: -108.120
where: short stacking energy: -61.868
Base-Backbone interact. energy: -0.001
local terms energy: -68.331199
where:
bonds (distance) C4'-P energy: -8.994
bonds (distance) P-C4' energy: -16.376
flat angles C4'-P-C4' energy: -11.377
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: -19.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -185.818525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.818525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.818525 (E_RNA)
where:
Base-Base interactions energy: -117.051
where: short stacking energy: -62.379
Base-Backbone interact. energy: -0.002
local terms energy: -68.766367
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -11.284
flat angles P-C4'-P energy: -9.567
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: 6, replica: 2
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -173.584978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.584978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.584978 (E_RNA)
where:
Base-Base interactions energy: -111.479
where: short stacking energy: -54.616
Base-Backbone interact. energy: 0.951
local terms energy: -63.057096
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -9.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -90.457637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.457637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.457637 (E_RNA)
where:
Base-Base interactions energy: -40.115
where: short stacking energy: -40.115
Base-Backbone interact. energy: -0.007
local terms energy: -50.335191
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -4.803
tors. eta vs tors. theta energy: -5.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -82.113649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.113649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.113649 (E_RNA)
where:
Base-Base interactions energy: -31.855
where: short stacking energy: -31.855
Base-Backbone interact. energy: -0.138
local terms energy: -50.120947
where:
bonds (distance) C4'-P energy: -9.035
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -11.414
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -5.138
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: 3
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -89.187431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.187431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.187431 (E_RNA)
where:
Base-Base interactions energy: -31.828
where: short stacking energy: -21.963
Base-Backbone interact. energy: -0.361
local terms energy: -56.998351
where:
bonds (distance) C4'-P energy: -13.748
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -1.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -82.497778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.497778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.497778 (E_RNA)
where:
Base-Base interactions energy: -44.377
where: short stacking energy: -19.936
Base-Backbone interact. energy: 2.312
local terms energy: -40.433292
where:
bonds (distance) C4'-P energy: -13.603
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -6.916
flat angles P-C4'-P energy: -8.737
tors. eta vs tors. theta energy: 3.374
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: 1
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -232.282562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.282562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.282562 (E_RNA)
where:
Base-Base interactions energy: -155.182
where: short stacking energy: -75.192
Base-Backbone interact. energy: -0.046
local terms energy: -77.054530
where:
bonds (distance) C4'-P energy: -17.099
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -20.963
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: 7
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -201.722549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.722549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.722549 (E_RNA)
where:
Base-Base interactions energy: -132.030
where: short stacking energy: -66.107
Base-Backbone interact. energy: 2.748
local terms energy: -72.441331
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -17.547
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -12.720
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: 3, replica: 8
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -199.129930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.129930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.129930 (E_RNA)
where:
Base-Base interactions energy: -129.693
where: short stacking energy: -65.950
Base-Backbone interact. energy: -0.012
local terms energy: -69.424922
where:
bonds (distance) C4'-P energy: -8.467
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -15.465
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -18.291
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: 9
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -193.623709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.623709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.623709 (E_RNA)
where:
Base-Base interactions energy: -124.036
where: short stacking energy: -69.264
Base-Backbone interact. energy: -0.288
local terms energy: -69.300138
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -9.703
tors. eta vs tors. theta energy: -16.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -164.907642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.907642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.907642 (E_RNA)
where:
Base-Base interactions energy: -102.768
where: short stacking energy: -62.507
Base-Backbone interact. energy: 2.278
local terms energy: -64.416819
where:
bonds (distance) C4'-P energy: -9.818
bonds (distance) P-C4' energy: -10.736
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -18.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -177.237358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.237358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.237358 (E_RNA)
where:
Base-Base interactions energy: -117.773
where: short stacking energy: -50.388
Base-Backbone interact. energy: 0.570
local terms energy: -60.033784
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -10.746
flat angles C4'-P-C4' energy: -12.433
flat angles P-C4'-P energy: -10.538
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: 4
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -99.063675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.063675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.063675 (E_RNA)
where:
Base-Base interactions energy: -48.028
where: short stacking energy: -33.847
Base-Backbone interact. energy: -0.115
local terms energy: -50.920624
where:
bonds (distance) C4'-P energy: -15.728
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -11.893
flat angles P-C4'-P energy: -7.369
tors. eta vs tors. theta energy: -3.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -91.545571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.545571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.545571 (E_RNA)
where:
Base-Base interactions energy: -46.846
where: short stacking energy: -29.269
Base-Backbone interact. energy: -0.124
local terms energy: -44.575685
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -7.748
flat angles P-C4'-P energy: -7.652
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: 9, replica: 10
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -92.880246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.880246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.880246 (E_RNA)
where:
Base-Base interactions energy: -37.059
where: short stacking energy: -37.059
Base-Backbone interact. energy: -0.086
local terms energy: -55.735398
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -6.684
flat angles C4'-P-C4' energy: -11.326
flat angles P-C4'-P energy: -13.082
tors. eta vs tors. theta energy: -7.546
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: 181
Temperature: 1.350000
Total energy: -118.000663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.000663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.000663 (E_RNA)
where:
Base-Base interactions energy: -68.728
where: short stacking energy: -35.191
Base-Backbone interact. energy: -0.049
local terms energy: -49.224318
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -11.330
flat angles C4'-P-C4' energy: -17.274
flat angles P-C4'-P energy: -5.613
tors. eta vs tors. theta energy: -3.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -230.080807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.080807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.080807 (E_RNA)
where:
Base-Base interactions energy: -154.858
where: short stacking energy: -70.663
Base-Backbone interact. energy: -0.189
local terms energy: -75.034539
where:
bonds (distance) C4'-P energy: -17.361
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -12.146
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -20.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -206.254231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.254231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.254231 (E_RNA)
where:
Base-Base interactions energy: -137.107
where: short stacking energy: -65.838
Base-Backbone interact. energy: -0.047
local terms energy: -69.100688
where:
bonds (distance) C4'-P energy: -10.303
bonds (distance) P-C4' energy: -14.707
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -13.684
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: 3, replica: 9
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -206.338033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.338033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.338033 (E_RNA)
where:
Base-Base interactions energy: -127.607
where: short stacking energy: -62.558
Base-Backbone interact. energy: -0.003
local terms energy: -78.728489
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -17.690
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -20.141
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: 8
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -201.053584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.053584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.053584 (E_RNA)
where:
Base-Base interactions energy: -129.531
where: short stacking energy: -60.734
Base-Backbone interact. energy: -0.564
local terms energy: -70.959003
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -12.799
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -18.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -183.586167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.586167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.586167 (E_RNA)
where:
Base-Base interactions energy: -119.886
where: short stacking energy: -57.667
Base-Backbone interact. energy: 0.489
local terms energy: -64.189451
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -13.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -143.137114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.137114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.137114 (E_RNA)
where:
Base-Base interactions energy: -77.859
where: short stacking energy: -36.196
Base-Backbone interact. energy: -0.164
local terms energy: -65.114486
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -16.314
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: -9.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -104.344788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.344788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.344788 (E_RNA)
where:
Base-Base interactions energy: -56.750
where: short stacking energy: -39.754
Base-Backbone interact. energy: -0.181
local terms energy: -47.413336
where:
bonds (distance) C4'-P energy: -10.872
bonds (distance) P-C4' energy: -10.743
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -7.063
tors. eta vs tors. theta energy: -5.917
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: 4
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -90.384885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.384885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.384885 (E_RNA)
where:
Base-Base interactions energy: -42.689
where: short stacking energy: -28.930
Base-Backbone interact. energy: -0.281
local terms energy: -47.414786
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -8.574
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -1.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -94.488328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.488328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.488328 (E_RNA)
where:
Base-Base interactions energy: -36.491
where: short stacking energy: -34.578
Base-Backbone interact. energy: -0.009
local terms energy: -57.988635
where:
bonds (distance) C4'-P energy: -8.805
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -6.968
tors. eta vs tors. theta energy: -10.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -101.293992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.293992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.293992 (E_RNA)
where:
Base-Base interactions energy: -51.243
where: short stacking energy: -23.953
Base-Backbone interact. energy: 0.520
local terms energy: -50.570784
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -15.204
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: 2.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -227.662669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.662669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.662669 (E_RNA)
where:
Base-Base interactions energy: -146.617
where: short stacking energy: -72.043
Base-Backbone interact. energy: -0.013
local terms energy: -81.032122
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -12.363
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: 2, replica: 9
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -200.560546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.560546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.560546 (E_RNA)
where:
Base-Base interactions energy: -128.802
where: short stacking energy: -63.154
Base-Backbone interact. energy: -0.021
local terms energy: -71.738199
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -18.937
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -12.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -202.702303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.702303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.702303 (E_RNA)
where:
Base-Base interactions energy: -126.201
where: short stacking energy: -68.929
Base-Backbone interact. energy: -0.035
local terms energy: -76.466515
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -12.863
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: 4, replica: 2
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -173.063189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.063189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.063189 (E_RNA)
where:
Base-Base interactions energy: -110.619
where: short stacking energy: -54.317
Base-Backbone interact. energy: -0.174
local terms energy: -62.269228
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -13.436
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -11.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -198.734992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.734992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.734992 (E_RNA)
where:
Base-Base interactions energy: -133.047
where: short stacking energy: -63.865
Base-Backbone interact. energy: -0.339
local terms energy: -65.349221
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -14.572
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -6.063
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: 6, replica: 6
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -144.620778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.620778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.620778 (E_RNA)
where:
Base-Base interactions energy: -85.618
where: short stacking energy: -43.988
Base-Backbone interact. energy: -0.017
local terms energy: -58.985042
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -9.423
flat angles C4'-P-C4' energy: -11.838
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -11.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -101.150776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.150776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.150776 (E_RNA)
where:
Base-Base interactions energy: -45.281
where: short stacking energy: -36.583
Base-Backbone interact. energy: -0.175
local terms energy: -55.694288
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -6.492
tors. eta vs tors. theta energy: -4.789
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: 8, replica: 10
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -88.040020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.040020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.040020 (E_RNA)
where:
Base-Base interactions energy: -37.396
where: short stacking energy: -34.848
Base-Backbone interact. energy: 3.662
local terms energy: -54.305976
where:
bonds (distance) C4'-P energy: -16.245
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -3.061
tors. eta vs tors. theta energy: -6.078
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: 4
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -100.995437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.995437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.995437 (E_RNA)
where:
Base-Base interactions energy: -49.069
where: short stacking energy: -30.526
Base-Backbone interact. energy: -0.703
local terms energy: -51.224181
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -13.574
flat angles C4'-P-C4' energy: -13.195
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: -4.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -82.305722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.305722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.305722 (E_RNA)
where:
Base-Base interactions energy: -29.299
where: short stacking energy: -28.032
Base-Backbone interact. energy: -0.206
local terms energy: -52.800320
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -9.174
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: 1, replica: 9
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -199.134862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.134862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.134862 (E_RNA)
where:
Base-Base interactions energy: -131.778
where: short stacking energy: -68.349
Base-Backbone interact. energy: -0.006
local terms energy: -67.351352
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -10.547
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -16.223
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: 2, replica: 1
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -220.878934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.878934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.878934 (E_RNA)
where:
Base-Base interactions energy: -149.862
where: short stacking energy: -67.055
Base-Backbone interact. energy: -0.014
local terms energy: -71.002379
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -14.086
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -18.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -202.705069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.705069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.705069 (E_RNA)
where:
Base-Base interactions energy: -132.622
where: short stacking energy: -62.625
Base-Backbone interact. energy: -0.087
local terms energy: -69.995708
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -16.321
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -16.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -191.502387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.502387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.502387 (E_RNA)
where:
Base-Base interactions energy: -127.086
where: short stacking energy: -61.277
Base-Backbone interact. energy: -0.073
local terms energy: -64.343434
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -13.847
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -12.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -185.977778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.977778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.977778 (E_RNA)
where:
Base-Base interactions energy: -110.933
where: short stacking energy: -55.319
Base-Backbone interact. energy: -0.897
local terms energy: -74.147849
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -16.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -128.330780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.330780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.330780 (E_RNA)
where:
Base-Base interactions energy: -77.019
where: short stacking energy: -45.989
Base-Backbone interact. energy: -0.140
local terms energy: -51.171607
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -9.073
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -2.362
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: 3
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -86.769560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.769560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.769560 (E_RNA)
where:
Base-Base interactions energy: -32.767
where: short stacking energy: -30.066
Base-Backbone interact. energy: -0.163
local terms energy: -53.838788
where:
bonds (distance) C4'-P energy: -12.688
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: -1.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -80.669013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.669013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.669013 (E_RNA)
where:
Base-Base interactions energy: -31.940
where: short stacking energy: -24.173
Base-Backbone interact. energy: -0.161
local terms energy: -48.568359
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -5.849
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: 184
Temperature: 1.300000
Total energy: -79.571396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.571396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.571396 (E_RNA)
where:
Base-Base interactions energy: -37.756
where: short stacking energy: -28.828
Base-Backbone interact. energy: -0.045
local terms energy: -41.770630
where:
bonds (distance) C4'-P energy: -10.720
bonds (distance) P-C4' energy: -8.192
flat angles C4'-P-C4' energy: -9.237
flat angles P-C4'-P energy: -7.687
tors. eta vs tors. theta energy: -5.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -90.331174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.331174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.331174 (E_RNA)
where:
Base-Base interactions energy: -44.378
where: short stacking energy: -26.575
Base-Backbone interact. energy: -0.114
local terms energy: -45.838804
where:
bonds (distance) C4'-P energy: -10.063
bonds (distance) P-C4' energy: -11.927
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -7.403
tors. eta vs tors. theta energy: -3.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -200.126234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.126234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.126234 (E_RNA)
where:
Base-Base interactions energy: -124.795
where: short stacking energy: -62.816
Base-Backbone interact. energy: 0.237
local terms energy: -75.568959
where:
bonds (distance) C4'-P energy: -17.095
bonds (distance) P-C4' energy: -14.724
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -11.753
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: 1
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -218.848703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.848703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.848703 (E_RNA)
where:
Base-Base interactions energy: -146.571
where: short stacking energy: -69.930
Base-Backbone interact. energy: -0.059
local terms energy: -72.218181
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -13.967
flat angles C4'-P-C4' energy: -16.667
flat angles P-C4'-P energy: -12.360
tors. eta vs tors. theta energy: -17.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -197.824971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.824971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.824971 (E_RNA)
where:
Base-Base interactions energy: -140.206
where: short stacking energy: -66.250
Base-Backbone interact. energy: -0.023
local terms energy: -57.596199
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -9.045
flat angles P-C4'-P energy: -4.684
tors. eta vs tors. theta energy: -13.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -184.888538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.888538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.888538 (E_RNA)
where:
Base-Base interactions energy: -123.052
where: short stacking energy: -53.915
Base-Backbone interact. energy: 0.266
local terms energy: -62.102598
where:
bonds (distance) C4'-P energy: -16.488
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -10.421
flat angles P-C4'-P energy: -6.276
tors. eta vs tors. theta energy: -11.476
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: 8
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -185.772076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.772076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.772076 (E_RNA)
where:
Base-Base interactions energy: -128.714
where: short stacking energy: -60.000
Base-Backbone interact. energy: -0.874
local terms energy: -56.184057
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -9.076
flat angles C4'-P-C4' energy: -11.202
flat angles P-C4'-P energy: -7.642
tors. eta vs tors. theta energy: -14.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -121.252309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.252309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.252309 (E_RNA)
where:
Base-Base interactions energy: -70.810
where: short stacking energy: -33.553
Base-Backbone interact. energy: -0.280
local terms energy: -50.162688
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -10.473
flat angles C4'-P-C4' energy: -10.570
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -5.751
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: 3
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -103.813592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.813592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.813592 (E_RNA)
where:
Base-Base interactions energy: -43.210
where: short stacking energy: -39.469
Base-Backbone interact. energy: 0.159
local terms energy: -60.763127
where:
bonds (distance) C4'-P energy: -10.592
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -9.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -80.930771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.930771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.930771 (E_RNA)
where:
Base-Base interactions energy: -31.107
where: short stacking energy: -21.044
Base-Backbone interact. energy: 1.173
local terms energy: -50.996650
where:
bonds (distance) C4'-P energy: -17.841
bonds (distance) P-C4' energy: -14.150
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -10.471
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: 9, replica: 10
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -73.196232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.196232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.196232 (E_RNA)
where:
Base-Base interactions energy: -29.943
where: short stacking energy: -27.101
Base-Backbone interact. energy: -0.027
local terms energy: -43.227031
where:
bonds (distance) C4'-P energy: -11.775
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -9.903
flat angles P-C4'-P energy: -8.924
tors. eta vs tors. theta energy: 0.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -76.484143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.484143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.484143 (E_RNA)
where:
Base-Base interactions energy: -36.618
where: short stacking energy: -27.560
Base-Backbone interact. energy: -0.384
local terms energy: -39.482696
where:
bonds (distance) C4'-P energy: -8.315
bonds (distance) P-C4' energy: -11.747
flat angles C4'-P-C4' energy: -10.432
flat angles P-C4'-P energy: -3.297
tors. eta vs tors. theta energy: -5.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -219.349187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.349187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.349187 (E_RNA)
where:
Base-Base interactions energy: -139.178
where: short stacking energy: -67.843
Base-Backbone interact. energy: -0.058
local terms energy: -80.112751
where:
bonds (distance) C4'-P energy: -16.121
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -14.485
tors. eta vs tors. theta energy: -19.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -198.031250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.031250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.031250 (E_RNA)
where:
Base-Base interactions energy: -129.023
where: short stacking energy: -59.676
Base-Backbone interact. energy: -0.489
local terms energy: -68.519273
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -17.847
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -2.945
tors. eta vs tors. theta energy: -16.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -200.997768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.997768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.997768 (E_RNA)
where:
Base-Base interactions energy: -127.224
where: short stacking energy: -63.510
Base-Backbone interact. energy: 0.613
local terms energy: -74.386123
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -8.687
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: 2
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -202.279518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.279518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.279518 (E_RNA)
where:
Base-Base interactions energy: -139.429
where: short stacking energy: -54.568
Base-Backbone interact. energy: -0.577
local terms energy: -62.272816
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -11.792
flat angles C4'-P-C4' energy: -11.918
flat angles P-C4'-P energy: -11.705
tors. eta vs tors. theta energy: -11.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -201.893981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.893981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.893981 (E_RNA)
where:
Base-Base interactions energy: -138.633
where: short stacking energy: -66.031
Base-Backbone interact. energy: -0.575
local terms energy: -62.686209
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -4.643
tors. eta vs tors. theta energy: -15.286
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: 6, replica: 6
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -108.854635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.854635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.854635 (E_RNA)
where:
Base-Base interactions energy: -41.989
where: short stacking energy: -40.298
Base-Backbone interact. energy: -0.119
local terms energy: -66.746935
where:
bonds (distance) C4'-P energy: -16.331
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -8.434
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: 5
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -105.772701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.772701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.772701 (E_RNA)
where:
Base-Base interactions energy: -55.671
where: short stacking energy: -31.496
Base-Backbone interact. energy: 0.288
local terms energy: -50.389418
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -11.574
flat angles C4'-P-C4' energy: -12.600
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -3.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -81.688955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.688955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.688955 (E_RNA)
where:
Base-Base interactions energy: -33.560
where: short stacking energy: -33.560
Base-Backbone interact. energy: -0.120
local terms energy: -48.009022
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -9.541
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -1.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -92.083262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.083262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.083262 (E_RNA)
where:
Base-Base interactions energy: -35.400
where: short stacking energy: -32.456
Base-Backbone interact. energy: -0.195
local terms energy: -56.487650
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -12.256
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -7.879
tors. eta vs tors. theta energy: -6.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -83.092856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.092856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.092856 (E_RNA)
where:
Base-Base interactions energy: -40.836
where: short stacking energy: -12.763
Base-Backbone interact. energy: -0.150
local terms energy: -42.106252
where:
bonds (distance) C4'-P energy: -11.264
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -7.227
tors. eta vs tors. theta energy: 5.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -226.283602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.283602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.283602 (E_RNA)
where:
Base-Base interactions energy: -148.429
where: short stacking energy: -74.036
Base-Backbone interact. energy: 0.762
local terms energy: -78.616881
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -14.461
tors. eta vs tors. theta energy: -18.108
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: 7
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -201.148225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.148225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.148225 (E_RNA)
where:
Base-Base interactions energy: -130.220
where: short stacking energy: -65.468
Base-Backbone interact. energy: 1.283
local terms energy: -72.211300
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -11.084
flat angles C4'-P-C4' energy: -16.566
flat angles P-C4'-P energy: -14.844
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: 9
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -202.231315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.231315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.231315 (E_RNA)
where:
Base-Base interactions energy: -130.075
where: short stacking energy: -67.391
Base-Backbone interact. energy: -0.045
local terms energy: -72.111005
where:
bonds (distance) C4'-P energy: -11.479
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -13.141
flat angles P-C4'-P energy: -10.712
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: 4, replica: 8
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -196.172891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.172891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.172891 (E_RNA)
where:
Base-Base interactions energy: -130.150
where: short stacking energy: -62.376
Base-Backbone interact. energy: -0.059
local terms energy: -65.963979
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -8.699
flat angles P-C4'-P energy: -10.293
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: 2
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -171.777527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.777527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.777527 (E_RNA)
where:
Base-Base interactions energy: -107.117
where: short stacking energy: -45.165
Base-Backbone interact. energy: 0.114
local terms energy: -64.774355
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -12.014
tors. eta vs tors. theta energy: -8.468
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: 6
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -103.177478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.177478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.177478 (E_RNA)
where:
Base-Base interactions energy: -49.435
where: short stacking energy: -27.713
Base-Backbone interact. energy: 1.117
local terms energy: -54.860252
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -12.216
flat angles P-C4'-P energy: -6.490
tors. eta vs tors. theta energy: -5.616
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: 5
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -116.962445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.962445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.962445 (E_RNA)
where:
Base-Base interactions energy: -59.801
where: short stacking energy: -33.524
Base-Backbone interact. energy: -0.495
local terms energy: -56.666476
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -2.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -92.187338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.187338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.187338 (E_RNA)
where:
Base-Base interactions energy: -40.488
where: short stacking energy: -26.367
Base-Backbone interact. energy: 1.773
local terms energy: -53.471475
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -11.607
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -2.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -80.784230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.784230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.784230 (E_RNA)
where:
Base-Base interactions energy: -43.496
where: short stacking energy: -25.262
Base-Backbone interact. energy: -0.277
local terms energy: -37.011050
where:
bonds (distance) C4'-P energy: -7.665
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -10.045
flat angles P-C4'-P energy: -1.093
tors. eta vs tors. theta energy: -5.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -73.255411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.255411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.255411 (E_RNA)
where:
Base-Base interactions energy: -25.670
where: short stacking energy: -16.171
Base-Backbone interact. energy: -0.192
local terms energy: -47.393510
where:
bonds (distance) C4'-P energy: -10.477
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -8.308
tors. eta vs tors. theta energy: -0.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -226.324093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.324093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.324093 (E_RNA)
where:
Base-Base interactions energy: -148.699
where: short stacking energy: -70.825
Base-Backbone interact. energy: -1.078
local terms energy: -76.547242
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -11.936
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: 2, replica: 7
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -200.337130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.337130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.337130 (E_RNA)
where:
Base-Base interactions energy: -129.887
where: short stacking energy: -61.913
Base-Backbone interact. energy: -0.017
local terms energy: -70.432913
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -15.535
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: -13.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -217.406201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.406201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.406201 (E_RNA)
where:
Base-Base interactions energy: -146.661
where: short stacking energy: -74.667
Base-Backbone interact. energy: -0.442
local terms energy: -70.302748
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -10.445
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: -20.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -186.578328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.578328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.578328 (E_RNA)
where:
Base-Base interactions energy: -116.598
where: short stacking energy: -53.736
Base-Backbone interact. energy: -0.035
local terms energy: -69.945835
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -13.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -185.404967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.404967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.404967 (E_RNA)
where:
Base-Base interactions energy: -123.817
where: short stacking energy: -62.070
Base-Backbone interact. energy: -0.410
local terms energy: -61.177118
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -11.704
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: 6, replica: 6
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -104.548451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.548451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.548451 (E_RNA)
where:
Base-Base interactions energy: -48.706
where: short stacking energy: -41.836
Base-Backbone interact. energy: -0.518
local terms energy: -55.324134
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -10.219
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: -8.543
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: 5
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -149.792846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.792846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.792846 (E_RNA)
where:
Base-Base interactions energy: -80.351
where: short stacking energy: -39.015
Base-Backbone interact. energy: -0.780
local terms energy: -68.661119
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -14.870
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -12.082
tors. eta vs tors. theta energy: -11.439
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: 8, replica: 4
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -91.187488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.187488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.187488 (E_RNA)
where:
Base-Base interactions energy: -29.925
where: short stacking energy: -24.663
Base-Backbone interact. energy: -0.002
local terms energy: -61.260365
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -9.141
flat angles P-C4'-P energy: -7.155
tors. eta vs tors. theta energy: -13.132
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: 188
Temperature: 1.300000
Total energy: -91.360691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.360691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.360691 (E_RNA)
where:
Base-Base interactions energy: -42.237
where: short stacking energy: -22.267
Base-Backbone interact. energy: -0.595
local terms energy: -48.528720
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -12.331
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -0.149
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: 3
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -81.361156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.361156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.361156 (E_RNA)
where:
Base-Base interactions energy: -35.089
where: short stacking energy: -27.463
Base-Backbone interact. energy: 1.867
local terms energy: -48.139517
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -10.586
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: 4.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -234.833223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.833223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.833223 (E_RNA)
where:
Base-Base interactions energy: -151.113
where: short stacking energy: -76.478
Base-Backbone interact. energy: -0.174
local terms energy: -83.546370
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -16.053
flat angles C4'-P-C4' energy: -17.357
flat angles P-C4'-P energy: -14.745
tors. eta vs tors. theta energy: -19.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -226.952481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.952481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.952481 (E_RNA)
where:
Base-Base interactions energy: -141.753
where: short stacking energy: -65.043
Base-Backbone interact. energy: -0.011
local terms energy: -85.189476
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -16.015
flat angles P-C4'-P energy: -13.710
tors. eta vs tors. theta energy: -23.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -190.335104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.335104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.335104 (E_RNA)
where:
Base-Base interactions energy: -128.504
where: short stacking energy: -61.605
Base-Backbone interact. energy: -0.089
local terms energy: -61.741850
where:
bonds (distance) C4'-P energy: -16.756
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -12.303
flat angles P-C4'-P energy: -4.525
tors. eta vs tors. theta energy: -13.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -182.833168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.833168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.833168 (E_RNA)
where:
Base-Base interactions energy: -117.760
where: short stacking energy: -53.209
Base-Backbone interact. energy: -0.346
local terms energy: -64.726741
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -11.292
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -13.769
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: 9
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -191.336986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.336986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.336986 (E_RNA)
where:
Base-Base interactions energy: -117.300
where: short stacking energy: -60.676
Base-Backbone interact. energy: -0.006
local terms energy: -74.031044
where:
bonds (distance) C4'-P energy: -15.770
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -17.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -179.006153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.006153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.006153 (E_RNA)
where:
Base-Base interactions energy: -118.361
where: short stacking energy: -61.038
Base-Backbone interact. energy: -0.906
local terms energy: -59.738728
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -9.506
flat angles P-C4'-P energy: -7.413
tors. eta vs tors. theta energy: -15.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -100.292398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.292398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.292398 (E_RNA)
where:
Base-Base interactions energy: -50.813
where: short stacking energy: -29.304
Base-Backbone interact. energy: -0.566
local terms energy: -48.913702
where:
bonds (distance) C4'-P energy: -9.884
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -11.204
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: -2.669
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: 8, replica: 4
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -91.712043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.712043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.712043 (E_RNA)
where:
Base-Base interactions energy: -46.049
where: short stacking energy: -30.358
Base-Backbone interact. energy: -0.105
local terms energy: -45.558504
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -12.036
flat angles P-C4'-P energy: -5.252
tors. eta vs tors. theta energy: -1.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -90.455831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.455831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.455831 (E_RNA)
where:
Base-Base interactions energy: -37.438
where: short stacking energy: -23.339
Base-Backbone interact. energy: -0.206
local terms energy: -52.810983
where:
bonds (distance) C4'-P energy: -14.395
bonds (distance) P-C4' energy: -17.711
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -9.201
tors. eta vs tors. theta energy: 1.447
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: 3
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -88.754726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.754726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.754726 (E_RNA)
where:
Base-Base interactions energy: -42.917
where: short stacking energy: -28.159
Base-Backbone interact. energy: -0.348
local terms energy: -45.489927
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -12.058
flat angles C4'-P-C4' energy: -7.765
flat angles P-C4'-P energy: -5.288
tors. eta vs tors. theta energy: -8.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -224.611574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.611574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.611574 (E_RNA)
where:
Base-Base interactions energy: -150.822
where: short stacking energy: -69.460
Base-Backbone interact. energy: -0.001
local terms energy: -73.788931
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -13.443
tors. eta vs tors. theta energy: -17.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -222.940059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.940059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.940059 (E_RNA)
where:
Base-Base interactions energy: -148.197
where: short stacking energy: -73.883
Base-Backbone interact. energy: -0.061
local terms energy: -74.681774
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -12.543
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -20.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -198.338064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.338064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.338064 (E_RNA)
where:
Base-Base interactions energy: -126.403
where: short stacking energy: -60.158
Base-Backbone interact. energy: 0.456
local terms energy: -72.390897
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -17.405
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: 4, replica: 2
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -189.802734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.802734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.802734 (E_RNA)
where:
Base-Base interactions energy: -136.654
where: short stacking energy: -49.519
Base-Backbone interact. energy: -0.795
local terms energy: -52.353387
where:
bonds (distance) C4'-P energy: -11.460
bonds (distance) P-C4' energy: -10.389
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -8.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -195.289635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.289635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.289635 (E_RNA)
where:
Base-Base interactions energy: -119.381
where: short stacking energy: -63.544
Base-Backbone interact. energy: -0.170
local terms energy: -75.738909
where:
bonds (distance) C4'-P energy: -12.071
bonds (distance) P-C4' energy: -15.202
flat angles C4'-P-C4' energy: -16.834
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -19.181
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: 9
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -176.794159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.794159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.794159 (E_RNA)
where:
Base-Base interactions energy: -112.697
where: short stacking energy: -49.171
Base-Backbone interact. energy: -0.027
local terms energy: -64.070047
where:
bonds (distance) C4'-P energy: -11.541
bonds (distance) P-C4' energy: -12.246
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -8.787
tors. eta vs tors. theta energy: -14.871
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: 6
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -98.758807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.758807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.758807 (E_RNA)
where:
Base-Base interactions energy: -55.178
where: short stacking energy: -40.625
Base-Backbone interact. energy: -0.037
local terms energy: -43.543986
where:
bonds (distance) C4'-P energy: -11.430
bonds (distance) P-C4' energy: -11.876
flat angles C4'-P-C4' energy: -9.751
flat angles P-C4'-P energy: -7.038
tors. eta vs tors. theta energy: -3.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -93.480204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.480204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.480204 (E_RNA)
where:
Base-Base interactions energy: -39.654
where: short stacking energy: -33.335
Base-Backbone interact. energy: 0.835
local terms energy: -54.660761
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -14.009
flat angles P-C4'-P energy: -8.073
tors. eta vs tors. theta energy: -1.739
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: 3
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -91.889327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.889327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.889327 (E_RNA)
where:
Base-Base interactions energy: -47.033
where: short stacking energy: -21.729
Base-Backbone interact. energy: -0.094
local terms energy: -44.762706
where:
bonds (distance) C4'-P energy: -9.777
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -7.337
tors. eta vs tors. theta energy: 2.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -91.891622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.891622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.891622 (E_RNA)
where:
Base-Base interactions energy: -48.205
where: short stacking energy: -26.673
Base-Backbone interact. energy: -0.139
local terms energy: -43.547535
where:
bonds (distance) C4'-P energy: -10.464
bonds (distance) P-C4' energy: -9.928
flat angles C4'-P-C4' energy: -11.436
flat angles P-C4'-P energy: -9.922
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: 1
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -221.808387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.808387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.808387 (E_RNA)
where:
Base-Base interactions energy: -142.772
where: short stacking energy: -67.939
Base-Backbone interact. energy: -0.340
local terms energy: -78.696132
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -17.163
flat angles P-C4'-P energy: -13.359
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: 191
Temperature: 0.950000
Total energy: -225.924043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.924043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.924043 (E_RNA)
where:
Base-Base interactions energy: -150.998
where: short stacking energy: -67.934
Base-Backbone interact. energy: -0.352
local terms energy: -74.574365
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -10.693
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: 3, replica: 7
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -196.230482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.230482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.230482 (E_RNA)
where:
Base-Base interactions energy: -126.791
where: short stacking energy: -56.137
Base-Backbone interact. energy: -0.194
local terms energy: -69.245670
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -13.295
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: 5
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -191.977641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.977641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.977641 (E_RNA)
where:
Base-Base interactions energy: -123.048
where: short stacking energy: -55.855
Base-Backbone interact. energy: 0.494
local terms energy: -69.423763
where:
bonds (distance) C4'-P energy: -12.375
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -18.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -197.077510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.077510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.077510 (E_RNA)
where:
Base-Base interactions energy: -128.666
where: short stacking energy: -59.273
Base-Backbone interact. energy: -1.211
local terms energy: -67.200247
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -11.557
flat angles P-C4'-P energy: -8.026
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: 6, replica: 9
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -177.362462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.362462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.362462 (E_RNA)
where:
Base-Base interactions energy: -108.030
where: short stacking energy: -47.207
Base-Backbone interact. energy: -0.374
local terms energy: -68.958932
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -16.863
flat angles P-C4'-P energy: -10.281
tors. eta vs tors. theta energy: -12.268
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: 6
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -100.886814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.886814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.886814 (E_RNA)
where:
Base-Base interactions energy: -55.656
where: short stacking energy: -46.108
Base-Backbone interact. energy: -0.006
local terms energy: -45.225650
where:
bonds (distance) C4'-P energy: -8.195
bonds (distance) P-C4' energy: -15.690
flat angles C4'-P-C4' energy: -9.025
flat angles P-C4'-P energy: -1.496
tors. eta vs tors. theta energy: -10.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -87.963413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.963413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.963413 (E_RNA)
where:
Base-Base interactions energy: -38.983
where: short stacking energy: -19.504
Base-Backbone interact. energy: -0.013
local terms energy: -48.967101
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -11.263
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: 1.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -80.092935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.092935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.092935 (E_RNA)
where:
Base-Base interactions energy: -33.424
where: short stacking energy: -33.424
Base-Backbone interact. energy: -0.074
local terms energy: -46.594972
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -11.413
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: 0.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -66.296052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.296052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.296052 (E_RNA)
where:
Base-Base interactions energy: -25.922
where: short stacking energy: -17.795
Base-Backbone interact. energy: 0.437
local terms energy: -40.811360
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -9.440
flat angles C4'-P-C4' energy: -6.045
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: -1.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -235.188494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.188494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.188494 (E_RNA)
where:
Base-Base interactions energy: -162.972
where: short stacking energy: -75.371
Base-Backbone interact. energy: -0.009
local terms energy: -72.207688
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -11.520
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -21.280
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: 2, replica: 1
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -218.475790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.475790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.475790 (E_RNA)
where:
Base-Base interactions energy: -141.421
where: short stacking energy: -65.397
Base-Backbone interact. energy: -0.007
local terms energy: -77.047276
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -18.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -223.430767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.430767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.430767 (E_RNA)
where:
Base-Base interactions energy: -145.526
where: short stacking energy: -65.575
Base-Backbone interact. energy: -0.005
local terms energy: -77.899759
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -13.765
tors. eta vs tors. theta energy: -21.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -195.053653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.053653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.053653 (E_RNA)
where:
Base-Base interactions energy: -133.166
where: short stacking energy: -61.143
Base-Backbone interact. energy: -0.122
local terms energy: -61.766082
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -13.804
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: -12.822
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: 9
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -182.388867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.388867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.388867 (E_RNA)
where:
Base-Base interactions energy: -128.892
where: short stacking energy: -50.505
Base-Backbone interact. energy: -0.027
local terms energy: -53.470240
where:
bonds (distance) C4'-P energy: -4.723
bonds (distance) P-C4' energy: -17.831
flat angles C4'-P-C4' energy: -10.350
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -10.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -191.075005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.075005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.075005 (E_RNA)
where:
Base-Base interactions energy: -125.760
where: short stacking energy: -46.120
Base-Backbone interact. energy: -0.039
local terms energy: -65.276841
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -7.123
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: 3
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -92.900338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.900338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.900338 (E_RNA)
where:
Base-Base interactions energy: -39.049
where: short stacking energy: -17.970
Base-Backbone interact. energy: -1.152
local terms energy: -52.698989
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -12.991
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: 1.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -93.268999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.268999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.268999 (E_RNA)
where:
Base-Base interactions energy: -67.279
where: short stacking energy: -32.361
Base-Backbone interact. energy: 0.065
local terms energy: -26.055269
where:
bonds (distance) C4'-P energy: -8.952
bonds (distance) P-C4' energy: -8.229
flat angles C4'-P-C4' energy: -12.395
flat angles P-C4'-P energy: 0.499
tors. eta vs tors. theta energy: 3.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -90.973994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.973994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.973994 (E_RNA)
where:
Base-Base interactions energy: -39.165
where: short stacking energy: -33.975
Base-Backbone interact. energy: -0.146
local terms energy: -51.663412
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -11.047
flat angles C4'-P-C4' energy: -11.033
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -4.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -71.646551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.646551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.646551 (E_RNA)
where:
Base-Base interactions energy: -34.217
where: short stacking energy: -25.811
Base-Backbone interact. energy: -0.290
local terms energy: -37.139557
where:
bonds (distance) C4'-P energy: -12.466
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -4.789
flat angles P-C4'-P energy: -3.806
tors. eta vs tors. theta energy: -4.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -230.195852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.195852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.195852 (E_RNA)
where:
Base-Base interactions energy: -156.837
where: short stacking energy: -74.385
Base-Backbone interact. energy: -0.011
local terms energy: -73.347380
where:
bonds (distance) C4'-P energy: -14.594
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -21.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -225.368375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.368375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.368375 (E_RNA)
where:
Base-Base interactions energy: -150.827
where: short stacking energy: -77.326
Base-Backbone interact. energy: -0.002
local terms energy: -74.539436
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -10.506
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: 3, replica: 1
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -223.684510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.684510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.684510 (E_RNA)
where:
Base-Base interactions energy: -147.414
where: short stacking energy: -74.665
Base-Backbone interact. energy: -0.122
local terms energy: -76.148764
where:
bonds (distance) C4'-P energy: -16.674
bonds (distance) P-C4' energy: -12.758
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -18.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -197.050873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.050873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.050873 (E_RNA)
where:
Base-Base interactions energy: -133.468
where: short stacking energy: -56.176
Base-Backbone interact. energy: 0.061
local terms energy: -63.643914
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -12.360
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -13.263
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: 193
Temperature: 1.100000
Total energy: -195.586669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.586669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.586669 (E_RNA)
where:
Base-Base interactions energy: -121.744
where: short stacking energy: -62.644
Base-Backbone interact. energy: -0.063
local terms energy: -73.779451
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -10.311
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: 6, replica: 2
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -194.543337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.543337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.543337 (E_RNA)
where:
Base-Base interactions energy: -123.968
where: short stacking energy: -61.698
Base-Backbone interact. energy: -0.396
local terms energy: -70.179241
where:
bonds (distance) C4'-P energy: -12.457
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: -16.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -87.351651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.351651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.351651 (E_RNA)
where:
Base-Base interactions energy: -34.737
where: short stacking energy: -34.737
Base-Backbone interact. energy: -0.148
local terms energy: -52.465898
where:
bonds (distance) C4'-P energy: -10.512
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -17.241
flat angles P-C4'-P energy: -4.481
tors. eta vs tors. theta energy: -6.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -96.200369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.200369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.200369 (E_RNA)
where:
Base-Base interactions energy: -39.460
where: short stacking energy: -37.272
Base-Backbone interact. energy: -0.289
local terms energy: -56.451683
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -9.863
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: -7.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -80.194336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.194336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.194336 (E_RNA)
where:
Base-Base interactions energy: -35.955
where: short stacking energy: -27.780
Base-Backbone interact. energy: -0.259
local terms energy: -43.980702
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -12.032
flat angles P-C4'-P energy: -3.424
tors. eta vs tors. theta energy: -0.677
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: 4
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -81.845064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.845064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.845064 (E_RNA)
where:
Base-Base interactions energy: -28.623
where: short stacking energy: -28.623
Base-Backbone interact. energy: -0.157
local terms energy: -53.064490
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -15.191
flat angles P-C4'-P energy: -6.916
tors. eta vs tors. theta energy: -5.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -226.548354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.548354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.548354 (E_RNA)
where:
Base-Base interactions energy: -150.604
where: short stacking energy: -67.691
Base-Backbone interact. energy: -0.056
local terms energy: -75.888153
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -18.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -232.004205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.004205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.004205 (E_RNA)
where:
Base-Base interactions energy: -151.234
where: short stacking energy: -72.179
Base-Backbone interact. energy: -0.692
local terms energy: -80.078648
where:
bonds (distance) C4'-P energy: -15.662
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -17.683
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: -20.826
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: 1
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -221.795746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.795746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.795746 (E_RNA)
where:
Base-Base interactions energy: -145.492
where: short stacking energy: -66.949
Base-Backbone interact. energy: -0.002
local terms energy: -76.302124
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -20.533
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: 9
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -188.914024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.914024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.914024 (E_RNA)
where:
Base-Base interactions energy: -127.268
where: short stacking energy: -61.999
Base-Backbone interact. energy: -0.157
local terms energy: -61.489029
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -12.003
flat angles P-C4'-P energy: -6.955
tors. eta vs tors. theta energy: -13.423
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: 2
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -189.600787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.600787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.600787 (E_RNA)
where:
Base-Base interactions energy: -122.354
where: short stacking energy: -52.406
Base-Backbone interact. energy: 1.098
local terms energy: -68.344459
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -16.219
flat angles P-C4'-P energy: -6.723
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: 6, replica: 7
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -182.492316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.492316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.492316 (E_RNA)
where:
Base-Base interactions energy: -120.426
where: short stacking energy: -59.904
Base-Backbone interact. energy: 0.048
local terms energy: -62.113907
where:
bonds (distance) C4'-P energy: -12.306
bonds (distance) P-C4' energy: -12.059
flat angles C4'-P-C4' energy: -12.780
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -16.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -89.602371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.602371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.602371 (E_RNA)
where:
Base-Base interactions energy: -37.891
where: short stacking energy: -31.239
Base-Backbone interact. energy: -0.386
local terms energy: -51.326192
where:
bonds (distance) C4'-P energy: -8.149
bonds (distance) P-C4' energy: -15.084
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -5.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -93.158303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.158303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.158303 (E_RNA)
where:
Base-Base interactions energy: -36.478
where: short stacking energy: -25.578
Base-Backbone interact. energy: -0.259
local terms energy: -56.421671
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -14.634
flat angles P-C4'-P energy: -10.862
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: 9, replica: 4
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -70.573694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.573694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.573694 (E_RNA)
where:
Base-Base interactions energy: -26.550
where: short stacking energy: -26.550
Base-Backbone interact. energy: -0.102
local terms energy: -43.921729
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -9.110
flat angles C4'-P-C4' energy: -11.713
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: -2.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -92.878391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.878391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.878391 (E_RNA)
where:
Base-Base interactions energy: -44.230
where: short stacking energy: -34.839
Base-Backbone interact. energy: 0.848
local terms energy: -49.497158
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -10.169
flat angles P-C4'-P energy: -3.110
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: 1, replica: 8
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -229.827439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.827439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.827439 (E_RNA)
where:
Base-Base interactions energy: -155.861
where: short stacking energy: -72.289
Base-Backbone interact. energy: 1.855
local terms energy: -75.821436
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -16.745
flat angles C4'-P-C4' energy: -12.187
flat angles P-C4'-P energy: -12.837
tors. eta vs tors. theta energy: -18.939
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: 1
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -221.216075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.216075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.216075 (E_RNA)
where:
Base-Base interactions energy: -143.575
where: short stacking energy: -73.322
Base-Backbone interact. energy: -0.006
local terms energy: -77.635478
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -23.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -223.818561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.818561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.818561 (E_RNA)
where:
Base-Base interactions energy: -146.721
where: short stacking energy: -75.179
Base-Backbone interact. energy: -0.474
local terms energy: -76.623658
where:
bonds (distance) C4'-P energy: -11.645
bonds (distance) P-C4' energy: -16.025
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -12.158
tors. eta vs tors. theta energy: -20.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -191.552329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.552329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.552329 (E_RNA)
where:
Base-Base interactions energy: -121.906
where: short stacking energy: -61.658
Base-Backbone interact. energy: -0.342
local terms energy: -69.303944
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -12.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -183.848420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.848420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.848420 (E_RNA)
where:
Base-Base interactions energy: -121.051
where: short stacking energy: -63.097
Base-Backbone interact. energy: -0.099
local terms energy: -62.698691
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -16.011
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: 7
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -174.014768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.014768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.014768 (E_RNA)
where:
Base-Base interactions energy: -105.535
where: short stacking energy: -53.280
Base-Backbone interact. energy: -0.100
local terms energy: -68.379763
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -5.825
tors. eta vs tors. theta energy: -14.453
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: 10
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -99.642080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.642080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.642080 (E_RNA)
where:
Base-Base interactions energy: -42.081
where: short stacking energy: -42.081
Base-Backbone interact. energy: -0.054
local terms energy: -57.507136
where:
bonds (distance) C4'-P energy: -10.870
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -7.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -91.628912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.628912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.628912 (E_RNA)
where:
Base-Base interactions energy: -36.689
where: short stacking energy: -34.970
Base-Backbone interact. energy: -0.189
local terms energy: -54.750993
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -10.658
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -6.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -88.755994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.755994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.755994 (E_RNA)
where:
Base-Base interactions energy: -38.455
where: short stacking energy: -34.412
Base-Backbone interact. energy: -0.066
local terms energy: -50.235498
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -14.562
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -6.818
tors. eta vs tors. theta energy: -2.971
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: 6
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -72.777911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.777911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.777911 (E_RNA)
where:
Base-Base interactions energy: -28.474
where: short stacking energy: -25.423
Base-Backbone interact. energy: -0.025
local terms energy: -44.279368
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -13.146
flat angles C4'-P-C4' energy: -11.521
flat angles P-C4'-P energy: -7.563
tors. eta vs tors. theta energy: -1.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -226.688152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.688152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.688152 (E_RNA)
where:
Base-Base interactions energy: -145.855
where: short stacking energy: -67.284
Base-Backbone interact. energy: -0.100
local terms energy: -80.733284
where:
bonds (distance) C4'-P energy: -11.702
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -18.062
flat angles P-C4'-P energy: -13.906
tors. eta vs tors. theta energy: -20.109
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: 196
Temperature: 0.950000
Total energy: -231.089112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.089112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.089112 (E_RNA)
where:
Base-Base interactions energy: -152.829
where: short stacking energy: -65.381
Base-Backbone interact. energy: -0.001
local terms energy: -78.259775
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -17.313
flat angles P-C4'-P energy: -8.743
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: 3, replica: 2
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -195.956256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.956256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.956256 (E_RNA)
where:
Base-Base interactions energy: -126.484
where: short stacking energy: -61.937
Base-Backbone interact. energy: 0.133
local terms energy: -69.605367
where:
bonds (distance) C4'-P energy: -13.667
bonds (distance) P-C4' energy: -12.316
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -16.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -208.232505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.232505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.232505 (E_RNA)
where:
Base-Base interactions energy: -132.441
where: short stacking energy: -63.869
Base-Backbone interact. energy: 0.720
local terms energy: -76.512024
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -11.584
tors. eta vs tors. theta energy: -19.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -180.651615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.651615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.651615 (E_RNA)
where:
Base-Base interactions energy: -113.438
where: short stacking energy: -56.290
Base-Backbone interact. energy: 0.057
local terms energy: -67.270709
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -5.949
tors. eta vs tors. theta energy: -16.167
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: 9
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -178.303808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.303808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.303808 (E_RNA)
where:
Base-Base interactions energy: -110.255
where: short stacking energy: -52.241
Base-Backbone interact. energy: -0.031
local terms energy: -68.016933
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -7.288
tors. eta vs tors. theta energy: -17.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -99.592616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.592616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.592616 (E_RNA)
where:
Base-Base interactions energy: -48.680
where: short stacking energy: -32.224
Base-Backbone interact. energy: -0.046
local terms energy: -50.865933
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -11.616
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -1.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -86.309478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.309478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.309478 (E_RNA)
where:
Base-Base interactions energy: -34.489
where: short stacking energy: -33.146
Base-Backbone interact. energy: -0.101
local terms energy: -51.718493
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -10.519
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -5.049
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: 6
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -73.789688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.789688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.789688 (E_RNA)
where:
Base-Base interactions energy: -26.091
where: short stacking energy: -22.391
Base-Backbone interact. energy: -0.344
local terms energy: -47.354601
where:
bonds (distance) C4'-P energy: -9.843
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -11.853
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -2.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -71.266536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.266536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.266536 (E_RNA)
where:
Base-Base interactions energy: -35.349
where: short stacking energy: -30.229
Base-Backbone interact. energy: -0.233
local terms energy: -35.685026
where:
bonds (distance) C4'-P energy: -6.113
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -8.381
flat angles P-C4'-P energy: -4.469
tors. eta vs tors. theta energy: -3.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -225.221529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.221529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.221529 (E_RNA)
where:
Base-Base interactions energy: -147.901
where: short stacking energy: -65.032
Base-Backbone interact. energy: -0.097
local terms energy: -77.223477
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -18.932
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: 2
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -200.748870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.748870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.748870 (E_RNA)
where:
Base-Base interactions energy: -134.860
where: short stacking energy: -59.407
Base-Backbone interact. energy: -0.044
local terms energy: -65.844710
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -5.907
tors. eta vs tors. theta energy: -12.272
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: 8
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -219.163987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.163987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.163987 (E_RNA)
where:
Base-Base interactions energy: -145.677
where: short stacking energy: -65.808
Base-Backbone interact. energy: -0.124
local terms energy: -73.363822
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -16.483
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: -21.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -214.411193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.411193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.411193 (E_RNA)
where:
Base-Base interactions energy: -141.001
where: short stacking energy: -68.415
Base-Backbone interact. energy: -0.028
local terms energy: -73.382668
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -16.223
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -20.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -178.498988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.498988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.498988 (E_RNA)
where:
Base-Base interactions energy: -114.488
where: short stacking energy: -54.385
Base-Backbone interact. energy: -0.126
local terms energy: -63.884787
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -7.761
tors. eta vs tors. theta energy: -12.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -185.686728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.686728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.686728 (E_RNA)
where:
Base-Base interactions energy: -130.046
where: short stacking energy: -54.977
Base-Backbone interact. energy: -0.055
local terms energy: -55.585316
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -12.459
flat angles P-C4'-P energy: -3.326
tors. eta vs tors. theta energy: -10.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -104.923201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.923201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.923201 (E_RNA)
where:
Base-Base interactions energy: -46.315
where: short stacking energy: -37.233
Base-Backbone interact. energy: -0.154
local terms energy: -58.454314
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -11.185
flat angles P-C4'-P energy: -2.289
tors. eta vs tors. theta energy: -10.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -84.745395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.745395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.745395 (E_RNA)
where:
Base-Base interactions energy: -30.011
where: short stacking energy: -29.712
Base-Backbone interact. energy: -0.022
local terms energy: -54.711688
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -9.491
flat angles P-C4'-P energy: -7.648
tors. eta vs tors. theta energy: -8.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -74.217470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.217470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.217470 (E_RNA)
where:
Base-Base interactions energy: -17.835
where: short stacking energy: -17.774
Base-Backbone interact. energy: -0.172
local terms energy: -56.209715
where:
bonds (distance) C4'-P energy: -13.957
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -9.553
flat angles P-C4'-P energy: -11.166
tors. eta vs tors. theta energy: -4.926
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: 4
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -79.400757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.400757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.400757 (E_RNA)
where:
Base-Base interactions energy: -27.763
where: short stacking energy: -24.824
Base-Backbone interact. energy: -0.209
local terms energy: -51.428245
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -15.347
flat angles C4'-P-C4' energy: -12.952
flat angles P-C4'-P energy: -4.570
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: 2
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -217.982940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.982940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.982940 (E_RNA)
where:
Base-Base interactions energy: -148.949
where: short stacking energy: -64.553
Base-Backbone interact. energy: 0.621
local terms energy: -69.654565
where:
bonds (distance) C4'-P energy: -13.810
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -13.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -225.095627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.095627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.095627 (E_RNA)
where:
Base-Base interactions energy: -153.738
where: short stacking energy: -75.237
Base-Backbone interact. energy: -0.025
local terms energy: -71.332656
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -16.523
flat angles P-C4'-P energy: -6.576
tors. eta vs tors. theta energy: -21.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -222.765440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.765440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.765440 (E_RNA)
where:
Base-Base interactions energy: -143.719
where: short stacking energy: -65.655
Base-Backbone interact. energy: -0.003
local terms energy: -79.043403
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -11.543
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: 4, replica: 8
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -209.766894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.766894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.766894 (E_RNA)
where:
Base-Base interactions energy: -144.970
where: short stacking energy: -69.631
Base-Backbone interact. energy: -0.013
local terms energy: -64.783325
where:
bonds (distance) C4'-P energy: -7.768
bonds (distance) P-C4' energy: -10.387
flat angles C4'-P-C4' energy: -16.704
flat angles P-C4'-P energy: -10.053
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: 5, replica: 9
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -188.948043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.948043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.948043 (E_RNA)
where:
Base-Base interactions energy: -130.233
where: short stacking energy: -43.967
Base-Backbone interact. energy: -0.212
local terms energy: -58.502211
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -10.723
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: -9.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -176.102792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.102792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.102792 (E_RNA)
where:
Base-Base interactions energy: -112.583
where: short stacking energy: -56.572
Base-Backbone interact. energy: -0.159
local terms energy: -63.361007
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -11.631
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -11.897
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: 198
Temperature: 1.200000
Total energy: -110.943308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.943308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.943308 (E_RNA)
where:
Base-Base interactions energy: -57.736
where: short stacking energy: -38.930
Base-Backbone interact. energy: 0.759
local terms energy: -53.966864
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -4.463
flat angles P-C4'-P energy: -4.522
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: 8, replica: 10
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -77.512278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.512278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.512278 (E_RNA)
where:
Base-Base interactions energy: -33.621
where: short stacking energy: -22.294
Base-Backbone interact. energy: -0.807
local terms energy: -43.084311
where:
bonds (distance) C4'-P energy: -12.181
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -9.021
flat angles P-C4'-P energy: -7.255
tors. eta vs tors. theta energy: -1.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -95.398924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.398924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.398924 (E_RNA)
where:
Base-Base interactions energy: -40.587
where: short stacking energy: -40.787
Base-Backbone interact. energy: -0.006
local terms energy: -54.806412
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -14.702
flat angles C4'-P-C4' energy: -12.355
flat angles P-C4'-P energy: -4.679
tors. eta vs tors. theta energy: -8.981
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: 10, replica: 6
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -75.720011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.720011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.720011 (E_RNA)
where:
Base-Base interactions energy: -22.907
where: short stacking energy: -22.907
Base-Backbone interact. energy: -0.368
local terms energy: -52.444380
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -10.175
flat angles P-C4'-P energy: -7.004
tors. eta vs tors. theta energy: -2.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -221.466939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.466939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.466939 (E_RNA)
where:
Base-Base interactions energy: -158.137
where: short stacking energy: -62.463
Base-Backbone interact. energy: -0.290
local terms energy: -63.039759
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -12.805
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -6.844
tors. eta vs tors. theta energy: -15.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -224.659032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.659032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.659032 (E_RNA)
where:
Base-Base interactions energy: -152.191
where: short stacking energy: -70.154
Base-Backbone interact. energy: -0.530
local terms energy: -71.938603
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -16.610
flat angles P-C4'-P energy: -11.055
tors. eta vs tors. theta energy: -17.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -228.890663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.890663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.890663 (E_RNA)
where:
Base-Base interactions energy: -150.285
where: short stacking energy: -76.717
Base-Backbone interact. energy: -0.000
local terms energy: -78.605803
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -17.049
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -23.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -221.471521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.471521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.471521 (E_RNA)
where:
Base-Base interactions energy: -143.809
where: short stacking energy: -71.386
Base-Backbone interact. energy: -0.662
local terms energy: -77.001041
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -8.052
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: 9
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -173.084855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.084855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.084855 (E_RNA)
where:
Base-Base interactions energy: -107.965
where: short stacking energy: -61.223
Base-Backbone interact. energy: 0.691
local terms energy: -65.811315
where:
bonds (distance) C4'-P energy: -9.535
bonds (distance) P-C4' energy: -13.223
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -10.778
tors. eta vs tors. theta energy: -15.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -176.212066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.212066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.212066 (E_RNA)
where:
Base-Base interactions energy: -117.346
where: short stacking energy: -57.717
Base-Backbone interact. energy: -0.116
local terms energy: -58.750245
where:
bonds (distance) C4'-P energy: -10.881
bonds (distance) P-C4' energy: -10.088
flat angles C4'-P-C4' energy: -16.634
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -11.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -87.585896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.585896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.585896 (E_RNA)
where:
Base-Base interactions energy: -28.704
where: short stacking energy: -28.429
Base-Backbone interact. energy: -0.172
local terms energy: -58.710277
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -1.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -115.464428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.464428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.464428 (E_RNA)
where:
Base-Base interactions energy: -68.344
where: short stacking energy: -33.601
Base-Backbone interact. energy: -0.079
local terms energy: -47.041325
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -9.119
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: -0.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -82.342122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.342122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.342122 (E_RNA)
where:
Base-Base interactions energy: -31.921
where: short stacking energy: -26.264
Base-Backbone interact. energy: -0.091
local terms energy: -50.329676
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: -1.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -90.373215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.373215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.373215 (E_RNA)
where:
Base-Base interactions energy: -41.279
where: short stacking energy: -41.279
Base-Backbone interact. energy: -0.214
local terms energy: -48.880364
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -8.608
flat angles P-C4'-P energy: -5.069
tors. eta vs tors. theta energy: -4.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -229.122082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.122082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.122082 (E_RNA)
where:
Base-Base interactions energy: -157.181
where: short stacking energy: -69.173
Base-Backbone interact. energy: -0.350
local terms energy: -71.591231
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -20.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -213.352142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.352142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.352142 (E_RNA)
where:
Base-Base interactions energy: -152.729
where: short stacking energy: -59.169
Base-Backbone interact. energy: -0.096
local terms energy: -60.526604
where:
bonds (distance) C4'-P energy: -12.687
bonds (distance) P-C4' energy: -12.521
flat angles C4'-P-C4' energy: -17.601
flat angles P-C4'-P energy: -6.198
tors. eta vs tors. theta energy: -11.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -227.031892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.031892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.031892 (E_RNA)
where:
Base-Base interactions energy: -153.933
where: short stacking energy: -72.709
Base-Backbone interact. energy: -0.575
local terms energy: -72.524359
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -11.647
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -11.427
tors. eta vs tors. theta energy: -21.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -221.670213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.670213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.670213 (E_RNA)
where:
Base-Base interactions energy: -148.223
where: short stacking energy: -69.527
Base-Backbone interact. energy: -0.000
local terms energy: -73.446961
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -19.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -206.442806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.442806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.442806 (E_RNA)
where:
Base-Base interactions energy: -138.676
where: short stacking energy: -58.483
Base-Backbone interact. energy: -0.242
local terms energy: -67.524754
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -12.646
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -13.551
tors. eta vs tors. theta energy: -14.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -170.034273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.034273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.034273 (E_RNA)
where:
Base-Base interactions energy: -106.315
where: short stacking energy: -48.436
Base-Backbone interact. energy: 2.614
local terms energy: -66.333772
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -10.804
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: -14.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -134.787083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.787083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.787083 (E_RNA)
where:
Base-Base interactions energy: -79.387
where: short stacking energy: -41.558
Base-Backbone interact. energy: -0.037
local terms energy: -55.362750
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -15.143
flat angles C4'-P-C4' energy: -9.482
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -6.023
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: 3
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -94.095485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.095485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.095485 (E_RNA)
where:
Base-Base interactions energy: -42.462
where: short stacking energy: -29.030
Base-Backbone interact. energy: -0.099
local terms energy: -51.534676
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -4.059
tors. eta vs tors. theta energy: -4.734
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: 6
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -82.015725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.015725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.015725 (E_RNA)
where:
Base-Base interactions energy: -22.067
where: short stacking energy: -22.067
Base-Backbone interact. energy: -0.060
local terms energy: -59.888490
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -15.227
flat angles C4'-P-C4' energy: -16.581
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -2.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -84.547669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.547669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.547669 (E_RNA)
where:
Base-Base interactions energy: -37.023
where: short stacking energy: -35.237
Base-Backbone interact. energy: -0.850
local terms energy: -46.674427
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -11.479
flat angles C4'-P-C4' energy: -6.903
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -6.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -227.336947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.336947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.336947 (E_RNA)
where:
Base-Base interactions energy: -151.416
where: short stacking energy: -74.532
Base-Backbone interact. energy: -0.040
local terms energy: -75.881344
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -17.874
flat angles P-C4'-P energy: -11.693
tors. eta vs tors. theta energy: -18.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -222.966629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.966629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.966629 (E_RNA)
where:
Base-Base interactions energy: -146.361
where: short stacking energy: -67.434
Base-Backbone interact. energy: 0.057
local terms energy: -76.662844
where:
bonds (distance) C4'-P energy: -16.573
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -11.700
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: 3, replica: 2
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -211.416905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.416905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.416905 (E_RNA)
where:
Base-Base interactions energy: -150.506
where: short stacking energy: -52.392
Base-Backbone interact. energy: -0.704
local terms energy: -60.206816
where:
bonds (distance) C4'-P energy: -13.694
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -5.203
tors. eta vs tors. theta energy: -9.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -215.465414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.465414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.465414 (E_RNA)
where:
Base-Base interactions energy: -139.711
where: short stacking energy: -61.274
Base-Backbone interact. energy: -0.083
local terms energy: -75.671998
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -9.968
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: 5, replica: 7
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -178.567773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.567773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.567773 (E_RNA)
where:
Base-Base interactions energy: -107.381
where: short stacking energy: -47.489
Base-Backbone interact. energy: -0.700
local terms energy: -70.487079
where:
bonds (distance) C4'-P energy: -10.742
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -19.004
flat angles P-C4'-P energy: -7.164
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: 6, replica: 9
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -170.840834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.840834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.840834 (E_RNA)
where:
Base-Base interactions energy: -107.025
where: short stacking energy: -53.345
Base-Backbone interact. energy: -0.071
local terms energy: -63.745291
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -14.802
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -12.734
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: 4
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -129.407184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.407184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.407184 (E_RNA)
where:
Base-Base interactions energy: -75.030
where: short stacking energy: -39.007
Base-Backbone interact. energy: 2.702
local terms energy: -57.079345
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -11.964
flat angles P-C4'-P energy: -6.953
tors. eta vs tors. theta energy: -10.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -88.681697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.681697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.681697 (E_RNA)
where:
Base-Base interactions energy: -44.063
where: short stacking energy: -45.563
Base-Backbone interact. energy: -0.069
local terms energy: -44.549530
where:
bonds (distance) C4'-P energy: -5.521
bonds (distance) P-C4' energy: -10.738
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -5.037
tors. eta vs tors. theta energy: -8.142
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: 3
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -88.362466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.362466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.362466 (E_RNA)
where:
Base-Base interactions energy: -44.934
where: short stacking energy: -32.727
Base-Backbone interact. energy: 0.277
local terms energy: -43.705558
where:
bonds (distance) C4'-P energy: -13.641
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -12.333
flat angles P-C4'-P energy: -3.167
tors. eta vs tors. theta energy: -1.007
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: 10
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -89.180700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.180700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.180700 (E_RNA)
where:
Base-Base interactions energy: -32.810
where: short stacking energy: -29.282
Base-Backbone interact. energy: -0.737
local terms energy: -55.633887
where:
bonds (distance) C4'-P energy: -10.617
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -11.983
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: 1
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -224.168764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.168764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.168764 (E_RNA)
where:
Base-Base interactions energy: -144.213
where: short stacking energy: -72.545
Base-Backbone interact. energy: -0.002
local terms energy: -79.954142
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -14.574
tors. eta vs tors. theta energy: -21.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -215.107376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.107376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.107376 (E_RNA)
where:
Base-Base interactions energy: -141.546
where: short stacking energy: -72.113
Base-Backbone interact. energy: -0.333
local terms energy: -73.228271
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -21.387
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: 3, replica: 5
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -209.864867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.864867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.864867 (E_RNA)
where:
Base-Base interactions energy: -141.500
where: short stacking energy: -63.757
Base-Backbone interact. energy: -0.046
local terms energy: -68.318856
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -11.364
flat angles P-C4'-P energy: -9.432
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: 2
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -191.040189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.040189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.040189 (E_RNA)
where:
Base-Base interactions energy: -127.686
where: short stacking energy: -47.755
Base-Backbone interact. energy: -0.132
local terms energy: -63.222566
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -13.627
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -10.498
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: 9
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -177.903023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.903023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.903023 (E_RNA)
where:
Base-Base interactions energy: -111.903
where: short stacking energy: -56.105
Base-Backbone interact. energy: -0.168
local terms energy: -65.831818
where:
bonds (distance) C4'-P energy: -10.861
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -6.635
tors. eta vs tors. theta energy: -17.188
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: 202
Temperature: 1.150000
Total energy: -179.515124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.515124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.515124 (E_RNA)
where:
Base-Base interactions energy: -125.377
where: short stacking energy: -57.789
Base-Backbone interact. energy: -0.712
local terms energy: -53.426199
where:
bonds (distance) C4'-P energy: -9.370
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -10.798
flat angles P-C4'-P energy: -8.141
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: 7, replica: 6
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -94.414121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.414121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.414121 (E_RNA)
where:
Base-Base interactions energy: -36.619
where: short stacking energy: -31.100
Base-Backbone interact. energy: -0.172
local terms energy: -57.623676
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -10.707
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: -4.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -137.138550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.138550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.138550 (E_RNA)
where:
Base-Base interactions energy: -78.348
where: short stacking energy: -43.405
Base-Backbone interact. energy: -0.006
local terms energy: -58.784700
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -11.318
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: -9.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -100.227163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.227163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.227163 (E_RNA)
where:
Base-Base interactions energy: -39.674
where: short stacking energy: -40.474
Base-Backbone interact. energy: -0.019
local terms energy: -60.533738
where:
bonds (distance) C4'-P energy: -5.568
bonds (distance) P-C4' energy: -17.848
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -10.045
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: 3
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -82.889845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.889845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.889845 (E_RNA)
where:
Base-Base interactions energy: -34.961
where: short stacking energy: -32.195
Base-Backbone interact. energy: -0.299
local terms energy: -47.630010
where:
bonds (distance) C4'-P energy: -9.104
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -5.415
tors. eta vs tors. theta energy: -5.727
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: 1
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -222.722896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.722896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.722896 (E_RNA)
where:
Base-Base interactions energy: -139.697
where: short stacking energy: -72.469
Base-Backbone interact. energy: -0.002
local terms energy: -83.023650
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -18.073
flat angles P-C4'-P energy: -13.002
tors. eta vs tors. theta energy: -22.386
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: 2, replica: 8
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -227.979927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.979927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.979927 (E_RNA)
where:
Base-Base interactions energy: -149.341
where: short stacking energy: -68.178
Base-Backbone interact. energy: -0.337
local terms energy: -78.302561
where:
bonds (distance) C4'-P energy: -11.392
bonds (distance) P-C4' energy: -17.404
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -12.788
tors. eta vs tors. theta energy: -20.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -212.878668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.878668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.878668 (E_RNA)
where:
Base-Base interactions energy: -136.922
where: short stacking energy: -67.157
Base-Backbone interact. energy: -0.000
local terms energy: -75.956612
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -16.889
flat angles P-C4'-P energy: -7.070
tors. eta vs tors. theta energy: -18.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -188.598746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.598746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.598746 (E_RNA)
where:
Base-Base interactions energy: -123.384
where: short stacking energy: -59.282
Base-Backbone interact. energy: -0.047
local terms energy: -65.167209
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -9.125
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: 5, replica: 2
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -184.909668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.909668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.909668 (E_RNA)
where:
Base-Base interactions energy: -121.826
where: short stacking energy: -53.535
Base-Backbone interact. energy: 0.678
local terms energy: -63.762024
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -7.989
tors. eta vs tors. theta energy: -13.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -189.717644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.717644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.717644 (E_RNA)
where:
Base-Base interactions energy: -129.863
where: short stacking energy: -52.411
Base-Backbone interact. energy: -0.227
local terms energy: -59.628318
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -4.415
tors. eta vs tors. theta energy: -13.175
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: 6
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -92.816643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.816643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.816643 (E_RNA)
where:
Base-Base interactions energy: -31.018
where: short stacking energy: -29.116
Base-Backbone interact. energy: -0.096
local terms energy: -61.702305
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -8.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -93.083126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.083126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.083126 (E_RNA)
where:
Base-Base interactions energy: -42.050
where: short stacking energy: -37.710
Base-Backbone interact. energy: -0.038
local terms energy: -50.994714
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -12.244
flat angles P-C4'-P energy: -5.126
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: 9, replica: 4
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -125.711199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.711199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.711199 (E_RNA)
where:
Base-Base interactions energy: -67.496
where: short stacking energy: -37.664
Base-Backbone interact. energy: -0.099
local terms energy: -58.116293
where:
bonds (distance) C4'-P energy: -10.422
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -5.971
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: 3
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -81.439576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.439576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.439576 (E_RNA)
where:
Base-Base interactions energy: -35.140
where: short stacking energy: -23.508
Base-Backbone interact. energy: -0.179
local terms energy: -46.120254
where:
bonds (distance) C4'-P energy: -15.439
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -10.081
flat angles P-C4'-P energy: -7.469
tors. eta vs tors. theta energy: 1.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -232.523507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.523507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.523507 (E_RNA)
where:
Base-Base interactions energy: -154.521
where: short stacking energy: -78.028
Base-Backbone interact. energy: -0.214
local terms energy: -77.788269
where:
bonds (distance) C4'-P energy: -16.507
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -15.319
flat angles P-C4'-P energy: -6.537
tors. eta vs tors. theta energy: -22.505
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: 1
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -223.899821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.899821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.899821 (E_RNA)
where:
Base-Base interactions energy: -146.990
where: short stacking energy: -68.799
Base-Backbone interact. energy: -0.334
local terms energy: -76.575988
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -14.455
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -20.745
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: 5
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -212.938223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.938223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.938223 (E_RNA)
where:
Base-Base interactions energy: -135.447
where: short stacking energy: -63.058
Base-Backbone interact. energy: -0.006
local terms energy: -77.485275
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -12.290
tors. eta vs tors. theta energy: -18.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -200.554682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.554682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.554682 (E_RNA)
where:
Base-Base interactions energy: -136.163
where: short stacking energy: -53.226
Base-Backbone interact. energy: -0.005
local terms energy: -64.386620
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -13.481
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -15.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -188.707905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.707905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.707905 (E_RNA)
where:
Base-Base interactions energy: -129.823
where: short stacking energy: -56.931
Base-Backbone interact. energy: -0.059
local terms energy: -58.826059
where:
bonds (distance) C4'-P energy: -10.420
bonds (distance) P-C4' energy: -12.364
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -5.868
tors. eta vs tors. theta energy: -15.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -180.389441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.389441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.389441 (E_RNA)
where:
Base-Base interactions energy: -119.817
where: short stacking energy: -51.268
Base-Backbone interact. energy: -0.177
local terms energy: -60.395634
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -15.530
flat angles C4'-P-C4' energy: -11.894
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -9.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -97.277274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.277274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.277274 (E_RNA)
where:
Base-Base interactions energy: -43.382
where: short stacking energy: -28.301
Base-Backbone interact. energy: -0.429
local terms energy: -53.466808
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -14.953
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -7.629
tors. eta vs tors. theta energy: -1.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -88.109543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.109543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.109543 (E_RNA)
where:
Base-Base interactions energy: -33.750
where: short stacking energy: -30.943
Base-Backbone interact. energy: -0.147
local terms energy: -54.212891
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -12.038
flat angles P-C4'-P energy: -7.553
tors. eta vs tors. theta energy: -5.605
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: 9, replica: 3
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -100.516506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.516506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.516506 (E_RNA)
where:
Base-Base interactions energy: -56.150
where: short stacking energy: -21.521
Base-Backbone interact. energy: -0.371
local terms energy: -43.994754
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -10.522
flat angles C4'-P-C4' energy: -12.177
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: 0.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -79.062141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.062141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.062141 (E_RNA)
where:
Base-Base interactions energy: -33.506
where: short stacking energy: -22.755
Base-Backbone interact. energy: 0.317
local terms energy: -45.873148
where:
bonds (distance) C4'-P energy: -8.780
bonds (distance) P-C4' energy: -12.462
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -0.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -230.868466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.868466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.868466 (E_RNA)
where:
Base-Base interactions energy: -150.598
where: short stacking energy: -74.071
Base-Backbone interact. energy: -0.003
local terms energy: -80.267502
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -23.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -223.750957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.750957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.750957 (E_RNA)
where:
Base-Base interactions energy: -147.740
where: short stacking energy: -72.252
Base-Backbone interact. energy: -0.108
local terms energy: -75.903007
where:
bonds (distance) C4'-P energy: -10.531
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -17.298
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -22.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -222.782246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.782246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.782246 (E_RNA)
where:
Base-Base interactions energy: -149.628
where: short stacking energy: -70.984
Base-Backbone interact. energy: -0.004
local terms energy: -73.149662
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -10.815
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -20.196
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: 7
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -189.429798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.429798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.429798 (E_RNA)
where:
Base-Base interactions energy: -118.695
where: short stacking energy: -62.805
Base-Backbone interact. energy: -0.140
local terms energy: -70.595366
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -12.823
flat angles P-C4'-P energy: -12.120
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: 5, replica: 9
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -192.647207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.647207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.647207 (E_RNA)
where:
Base-Base interactions energy: -126.688
where: short stacking energy: -67.964
Base-Backbone interact. energy: -0.103
local terms energy: -65.856858
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -12.402
flat angles P-C4'-P energy: -6.958
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: 6, replica: 2
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -179.492044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.492044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.492044 (E_RNA)
where:
Base-Base interactions energy: -125.514
where: short stacking energy: -43.522
Base-Backbone interact. energy: -0.115
local terms energy: -53.862677
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -12.766
flat angles C4'-P-C4' energy: -10.028
flat angles P-C4'-P energy: -9.105
tors. eta vs tors. theta energy: -8.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -88.672009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.672009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.672009 (E_RNA)
where:
Base-Base interactions energy: -37.219
where: short stacking energy: -37.219
Base-Backbone interact. energy: -0.126
local terms energy: -51.326803
where:
bonds (distance) C4'-P energy: -14.333
bonds (distance) P-C4' energy: -13.971
flat angles C4'-P-C4' energy: -13.606
flat angles P-C4'-P energy: -4.836
tors. eta vs tors. theta energy: -4.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -83.691860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.691860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.691860 (E_RNA)
where:
Base-Base interactions energy: -40.291
where: short stacking energy: -33.653
Base-Backbone interact. energy: -0.110
local terms energy: -43.291281
where:
bonds (distance) C4'-P energy: -7.247
bonds (distance) P-C4' energy: -11.688
flat angles C4'-P-C4' energy: -7.800
flat angles P-C4'-P energy: -13.405
tors. eta vs tors. theta energy: -3.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -99.312107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.312107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.312107 (E_RNA)
where:
Base-Base interactions energy: -48.235
where: short stacking energy: -22.404
Base-Backbone interact. energy: -0.087
local terms energy: -50.990788
where:
bonds (distance) C4'-P energy: -17.373
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -9.586
flat angles P-C4'-P energy: -6.699
tors. eta vs tors. theta energy: -3.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -80.529330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.529330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.529330 (E_RNA)
where:
Base-Base interactions energy: -27.921
where: short stacking energy: -25.719
Base-Backbone interact. energy: -0.080
local terms energy: -52.528091
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -13.560
flat angles P-C4'-P energy: -10.800
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: 5
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -219.997027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.997027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.997027 (E_RNA)
where:
Base-Base interactions energy: -152.046
where: short stacking energy: -63.005
Base-Backbone interact. energy: -0.083
local terms energy: -67.867563
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -14.482
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: -7.577
tors. eta vs tors. theta energy: -19.533
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: 8
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -227.684750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.684750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.684750 (E_RNA)
where:
Base-Base interactions energy: -147.861
where: short stacking energy: -70.461
Base-Backbone interact. energy: -0.025
local terms energy: -79.799312
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -23.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -222.866212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.866212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.866212 (E_RNA)
where:
Base-Base interactions energy: -142.862
where: short stacking energy: -69.396
Base-Backbone interact. energy: -0.630
local terms energy: -79.373567
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -17.272
flat angles C4'-P-C4' energy: -13.368
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -20.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -185.454567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.454567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.454567 (E_RNA)
where:
Base-Base interactions energy: -119.977
where: short stacking energy: -67.936
Base-Backbone interact. energy: -0.108
local terms energy: -65.368976
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -8.792
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -18.119
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: 5, replica: 9
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -186.455034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.455034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.455034 (E_RNA)
where:
Base-Base interactions energy: -120.729
where: short stacking energy: -53.923
Base-Backbone interact. energy: -0.005
local terms energy: -65.721469
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -13.502
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -5.877
tors. eta vs tors. theta energy: -19.724
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: 2
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -177.515929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.515929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.515929 (E_RNA)
where:
Base-Base interactions energy: -116.370
where: short stacking energy: -47.103
Base-Backbone interact. energy: -0.128
local terms energy: -61.018044
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -7.857
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -12.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -93.785436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.785436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.785436 (E_RNA)
where:
Base-Base interactions energy: -46.838
where: short stacking energy: -39.717
Base-Backbone interact. energy: -0.033
local terms energy: -46.913845
where:
bonds (distance) C4'-P energy: -13.096
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -9.363
flat angles P-C4'-P energy: -5.811
tors. eta vs tors. theta energy: -4.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -93.907039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.907039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.907039 (E_RNA)
where:
Base-Base interactions energy: -44.843
where: short stacking energy: -38.445
Base-Backbone interact. energy: -0.143
local terms energy: -48.920563
where:
bonds (distance) C4'-P energy: -10.405
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -8.143
flat angles P-C4'-P energy: -5.948
tors. eta vs tors. theta energy: -8.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -80.463121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.463121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.463121 (E_RNA)
where:
Base-Base interactions energy: -28.992
where: short stacking energy: -25.767
Base-Backbone interact. energy: -0.111
local terms energy: -51.359745
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -15.141
flat angles C4'-P-C4' energy: -8.877
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: -4.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -91.002177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.002177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.002177 (E_RNA)
where:
Base-Base interactions energy: -40.119
where: short stacking energy: -32.460
Base-Backbone interact. energy: -0.399
local terms energy: -50.484830
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -9.273
flat angles P-C4'-P energy: -7.572
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: 1, replica: 5
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -223.892720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.892720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.892720 (E_RNA)
where:
Base-Base interactions energy: -141.611
where: short stacking energy: -72.333
Base-Backbone interact. energy: -0.271
local terms energy: -82.010045
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -17.071
flat angles C4'-P-C4' energy: -17.310
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -20.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -229.922264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.922264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.922264 (E_RNA)
where:
Base-Base interactions energy: -151.577
where: short stacking energy: -68.622
Base-Backbone interact. energy: -0.002
local terms energy: -78.343156
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -13.704
flat angles C4'-P-C4' energy: -17.695
flat angles P-C4'-P energy: -8.167
tors. eta vs tors. theta energy: -21.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -219.651216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.651216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.651216 (E_RNA)
where:
Base-Base interactions energy: -139.965
where: short stacking energy: -72.281
Base-Backbone interact. energy: -0.073
local terms energy: -79.612922
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -12.997
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: 4, replica: 9
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -183.574156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.574156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.574156 (E_RNA)
where:
Base-Base interactions energy: -115.200
where: short stacking energy: -47.785
Base-Backbone interact. energy: -0.028
local terms energy: -68.346352
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -12.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -189.828987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.828987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.828987 (E_RNA)
where:
Base-Base interactions energy: -122.529
where: short stacking energy: -55.186
Base-Backbone interact. energy: -0.235
local terms energy: -67.065058
where:
bonds (distance) C4'-P energy: -10.908
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -14.542
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: 2
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -179.587787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.587787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.587787 (E_RNA)
where:
Base-Base interactions energy: -121.390
where: short stacking energy: -44.871
Base-Backbone interact. energy: -1.169
local terms energy: -57.028408
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -8.065
tors. eta vs tors. theta energy: -10.255
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: 207
Temperature: 1.200000
Total energy: -85.721498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.721498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.721498 (E_RNA)
where:
Base-Base interactions energy: -34.399
where: short stacking energy: -22.779
Base-Backbone interact. energy: -0.317
local terms energy: -51.005725
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -11.632
flat angles P-C4'-P energy: -7.407
tors. eta vs tors. theta energy: 0.944
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: 4
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -85.028005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.028005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.028005 (E_RNA)
where:
Base-Base interactions energy: -34.205
where: short stacking energy: -21.535
Base-Backbone interact. energy: -0.317
local terms energy: -50.505316
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -10.631
flat angles P-C4'-P energy: -12.178
tors. eta vs tors. theta energy: 2.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -78.904235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.904235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.904235 (E_RNA)
where:
Base-Base interactions energy: -37.403
where: short stacking energy: -21.029
Base-Backbone interact. energy: -0.935
local terms energy: -40.566239
where:
bonds (distance) C4'-P energy: -11.382
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -10.364
flat angles P-C4'-P energy: -2.375
tors. eta vs tors. theta energy: 0.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -78.747083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.747083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.747083 (E_RNA)
where:
Base-Base interactions energy: -32.525
where: short stacking energy: -19.020
Base-Backbone interact. energy: 0.448
local terms energy: -46.670580
where:
bonds (distance) C4'-P energy: -8.622
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -8.896
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: 1
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -227.946087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.946087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.946087 (E_RNA)
where:
Base-Base interactions energy: -153.432
where: short stacking energy: -66.552
Base-Backbone interact. energy: -0.018
local terms energy: -74.496493
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -12.939
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: 2, replica: 5
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -231.187308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.187308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.187308 (E_RNA)
where:
Base-Base interactions energy: -152.103
where: short stacking energy: -71.816
Base-Backbone interact. energy: -0.184
local terms energy: -78.899851
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -19.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -217.813525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.813525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.813525 (E_RNA)
where:
Base-Base interactions energy: -139.257
where: short stacking energy: -59.163
Base-Backbone interact. energy: -1.013
local terms energy: -77.543006
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -12.522
tors. eta vs tors. theta energy: -19.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -185.870236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.870236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.870236 (E_RNA)
where:
Base-Base interactions energy: -122.651
where: short stacking energy: -50.720
Base-Backbone interact. energy: -0.050
local terms energy: -63.168708
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -10.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -199.234406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.234406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.234406 (E_RNA)
where:
Base-Base interactions energy: -137.422
where: short stacking energy: -57.836
Base-Backbone interact. energy: -0.108
local terms energy: -61.704929
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -12.221
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: -15.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -176.503356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.503356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.503356 (E_RNA)
where:
Base-Base interactions energy: -118.031
where: short stacking energy: -57.224
Base-Backbone interact. energy: -0.055
local terms energy: -58.417360
where:
bonds (distance) C4'-P energy: -12.986
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -10.545
flat angles P-C4'-P energy: -6.115
tors. eta vs tors. theta energy: -13.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -97.374770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.374770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.374770 (E_RNA)
where:
Base-Base interactions energy: -42.821
where: short stacking energy: -42.821
Base-Backbone interact. energy: -0.187
local terms energy: -54.367189
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -10.923
flat angles P-C4'-P energy: -8.232
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: 6
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -88.984151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.984151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.984151 (E_RNA)
where:
Base-Base interactions energy: -38.366
where: short stacking energy: -30.918
Base-Backbone interact. energy: -0.068
local terms energy: -50.550794
where:
bonds (distance) C4'-P energy: -18.288
bonds (distance) P-C4' energy: -6.844
flat angles C4'-P-C4' energy: -9.916
flat angles P-C4'-P energy: -12.015
tors. eta vs tors. theta energy: -3.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -81.310781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.310781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.310781 (E_RNA)
where:
Base-Base interactions energy: -33.935
where: short stacking energy: -14.839
Base-Backbone interact. energy: 0.307
local terms energy: -47.682529
where:
bonds (distance) C4'-P energy: -9.623
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -10.934
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -0.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -84.193043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.193043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.193043 (E_RNA)
where:
Base-Base interactions energy: -28.963
where: short stacking energy: -22.124
Base-Backbone interact. energy: 0.286
local terms energy: -55.515793
where:
bonds (distance) C4'-P energy: -15.853
bonds (distance) P-C4' energy: -10.822
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -3.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -231.812381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.812381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.812381 (E_RNA)
where:
Base-Base interactions energy: -152.928
where: short stacking energy: -76.939
Base-Backbone interact. energy: -0.000
local terms energy: -78.884120
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -13.590
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: 2, replica: 8
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -221.585992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.585992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.585992 (E_RNA)
where:
Base-Base interactions energy: -140.677
where: short stacking energy: -65.777
Base-Backbone interact. energy: -0.166
local terms energy: -80.742722
where:
bonds (distance) C4'-P energy: -18.118
bonds (distance) P-C4' energy: -11.890
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: -22.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -226.735700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.735700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.735700 (E_RNA)
where:
Base-Base interactions energy: -154.430
where: short stacking energy: -73.177
Base-Backbone interact. energy: -0.473
local terms energy: -71.832162
where:
bonds (distance) C4'-P energy: -13.393
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -17.621
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: 2
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -187.912741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.912741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.912741 (E_RNA)
where:
Base-Base interactions energy: -130.369
where: short stacking energy: -50.773
Base-Backbone interact. energy: 0.740
local terms energy: -58.283708
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -6.556
tors. eta vs tors. theta energy: -10.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -190.582317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.582317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.582317 (E_RNA)
where:
Base-Base interactions energy: -121.947
where: short stacking energy: -58.640
Base-Backbone interact. energy: -0.002
local terms energy: -68.633139
where:
bonds (distance) C4'-P energy: -10.330
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -15.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -172.163060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.163060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.163060 (E_RNA)
where:
Base-Base interactions energy: -108.040
where: short stacking energy: -47.997
Base-Backbone interact. energy: -0.308
local terms energy: -63.815641
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -4.886
tors. eta vs tors. theta energy: -15.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -86.621308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.621308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.621308 (E_RNA)
where:
Base-Base interactions energy: -31.741
where: short stacking energy: -26.501
Base-Backbone interact. energy: -0.215
local terms energy: -54.665375
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -11.980
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: -7.419
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: 209
Temperature: 1.250000
Total energy: -124.743600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.743600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.743600 (E_RNA)
where:
Base-Base interactions energy: -80.757
where: short stacking energy: -41.254
Base-Backbone interact. energy: -0.197
local terms energy: -43.789710
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -13.208
flat angles C4'-P-C4' energy: -7.189
flat angles P-C4'-P energy: -4.834
tors. eta vs tors. theta energy: -5.661
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: 6
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -86.600649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.600649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.600649 (E_RNA)
where:
Base-Base interactions energy: -37.787
where: short stacking energy: -30.917
Base-Backbone interact. energy: -0.936
local terms energy: -47.877887
where:
bonds (distance) C4'-P energy: -9.034
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -10.886
flat angles P-C4'-P energy: -7.355
tors. eta vs tors. theta energy: -7.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -93.611691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.611691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.611691 (E_RNA)
where:
Base-Base interactions energy: -38.771
where: short stacking energy: -38.771
Base-Backbone interact. energy: -0.122
local terms energy: -54.718747
where:
bonds (distance) C4'-P energy: -10.920
bonds (distance) P-C4' energy: -12.511
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -6.047
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: 8
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -233.177559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.177559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.177559 (E_RNA)
where:
Base-Base interactions energy: -158.999
where: short stacking energy: -78.524
Base-Backbone interact. energy: -0.143
local terms energy: -74.035148
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -12.674
tors. eta vs tors. theta energy: -18.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -225.092674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.092674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.092674 (E_RNA)
where:
Base-Base interactions energy: -149.994
where: short stacking energy: -67.814
Base-Backbone interact. energy: -0.291
local terms energy: -74.807515
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -17.088
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -19.917
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: 3, replica: 2
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -194.564040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.564040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.564040 (E_RNA)
where:
Base-Base interactions energy: -134.637
where: short stacking energy: -45.757
Base-Backbone interact. energy: -1.163
local terms energy: -58.764366
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -8.945
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -4.491
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: 5
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -219.575199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.575199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.575199 (E_RNA)
where:
Base-Base interactions energy: -137.271
where: short stacking energy: -70.641
Base-Backbone interact. energy: 2.403
local terms energy: -84.706984
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -18.910
flat angles P-C4'-P energy: -13.729
tors. eta vs tors. theta energy: -20.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -182.236335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.236335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.236335 (E_RNA)
where:
Base-Base interactions energy: -119.216
where: short stacking energy: -60.414
Base-Backbone interact. energy: -0.018
local terms energy: -63.002614
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -14.869
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -3.102
tors. eta vs tors. theta energy: -16.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -186.170921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.170921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.170921 (E_RNA)
where:
Base-Base interactions energy: -124.884
where: short stacking energy: -63.078
Base-Backbone interact. energy: -0.065
local terms energy: -61.222477
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -5.545
tors. eta vs tors. theta energy: -15.597
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: 7, replica: 3
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -140.134027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.134027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.134027 (E_RNA)
where:
Base-Base interactions energy: -83.643
where: short stacking energy: -48.347
Base-Backbone interact. energy: -0.127
local terms energy: -56.364113
where:
bonds (distance) C4'-P energy: -8.269
bonds (distance) P-C4' energy: -17.006
flat angles C4'-P-C4' energy: -16.560
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -6.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -85.678921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.678921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.678921 (E_RNA)
where:
Base-Base interactions energy: -37.267
where: short stacking energy: -27.613
Base-Backbone interact. energy: 0.235
local terms energy: -48.646309
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -6.676
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -2.631
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: 10
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -94.891727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.891727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.891727 (E_RNA)
where:
Base-Base interactions energy: -42.896
where: short stacking energy: -30.992
Base-Backbone interact. energy: -0.263
local terms energy: -51.733457
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -9.533
tors. eta vs tors. theta energy: -2.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -69.976568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.976568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.976568 (E_RNA)
where:
Base-Base interactions energy: -21.498
where: short stacking energy: -16.354
Base-Backbone interact. energy: -0.147
local terms energy: -48.331124
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -13.825
flat angles C4'-P-C4' energy: -11.425
flat angles P-C4'-P energy: -9.966
tors. eta vs tors. theta energy: 2.209
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: 8
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -235.215284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.215284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.215284 (E_RNA)
where:
Base-Base interactions energy: -153.384
where: short stacking energy: -77.705
Base-Backbone interact. energy: -0.646
local terms energy: -81.185298
where:
bonds (distance) C4'-P energy: -12.375
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -17.922
flat angles P-C4'-P energy: -12.665
tors. eta vs tors. theta energy: -21.831
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: 2
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -210.188562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.188562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.188562 (E_RNA)
where:
Base-Base interactions energy: -142.854
where: short stacking energy: -61.707
Base-Backbone interact. energy: -1.150
local terms energy: -66.184313
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -16.986
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -5.352
tors. eta vs tors. theta energy: -16.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -217.356726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.356726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.356726 (E_RNA)
where:
Base-Base interactions energy: -140.654
where: short stacking energy: -61.430
Base-Backbone interact. energy: -0.002
local terms energy: -76.700734
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -11.641
flat angles P-C4'-P energy: -13.089
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: 4, replica: 5
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -205.336851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.336851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.336851 (E_RNA)
where:
Base-Base interactions energy: -131.480
where: short stacking energy: -62.687
Base-Backbone interact. energy: -0.002
local terms energy: -73.855487
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -12.296
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: 5, replica: 7
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -185.165885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.165885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.165885 (E_RNA)
where:
Base-Base interactions energy: -118.645
where: short stacking energy: -56.198
Base-Backbone interact. energy: -0.141
local terms energy: -66.379814
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -16.517
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -13.522
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: 9
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -185.628782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.628782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.628782 (E_RNA)
where:
Base-Base interactions energy: -113.447
where: short stacking energy: -56.909
Base-Backbone interact. energy: 0.960
local terms energy: -73.141080
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -12.416
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -19.419
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: 7, replica: 3
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -140.720749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.720749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.720749 (E_RNA)
where:
Base-Base interactions energy: -86.701
where: short stacking energy: -44.509
Base-Backbone interact. energy: 3.583
local terms energy: -57.602540
where:
bonds (distance) C4'-P energy: -11.484
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -12.729
flat angles P-C4'-P energy: -6.623
tors. eta vs tors. theta energy: -10.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -82.601974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.601974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.601974 (E_RNA)
where:
Base-Base interactions energy: -35.212
where: short stacking energy: -26.243
Base-Backbone interact. energy: -0.684
local terms energy: -46.705769
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -8.485
flat angles P-C4'-P energy: -7.727
tors. eta vs tors. theta energy: 2.171
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: 4
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -85.775334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.775334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.775334 (E_RNA)
where:
Base-Base interactions energy: -32.597
where: short stacking energy: -29.175
Base-Backbone interact. energy: -0.273
local terms energy: -52.905494
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -14.153
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -3.937
tors. eta vs tors. theta energy: -4.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -81.827979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.827979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.827979 (E_RNA)
where:
Base-Base interactions energy: -30.175
where: short stacking energy: -30.175
Base-Backbone interact. energy: 0.129
local terms energy: -51.781386
where:
bonds (distance) C4'-P energy: -6.990
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -13.522
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -4.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -230.505022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.505022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.505022 (E_RNA)
where:
Base-Base interactions energy: -154.346
where: short stacking energy: -60.563
Base-Backbone interact. energy: -0.599
local terms energy: -75.560546
where:
bonds (distance) C4'-P energy: -17.104
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: -15.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -210.882759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.882759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.882759 (E_RNA)
where:
Base-Base interactions energy: -138.126
where: short stacking energy: -66.712
Base-Backbone interact. energy: -0.321
local terms energy: -72.435942
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -15.743
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -14.984
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: 5
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -213.538712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.538712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.538712 (E_RNA)
where:
Base-Base interactions energy: -136.334
where: short stacking energy: -64.980
Base-Backbone interact. energy: -0.045
local terms energy: -77.159780
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: -21.092
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: 4, replica: 1
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -201.172849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.172849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.172849 (E_RNA)
where:
Base-Base interactions energy: -130.120
where: short stacking energy: -68.273
Base-Backbone interact. energy: -0.008
local terms energy: -71.045378
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -6.491
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: 9
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -181.501881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.501881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.501881 (E_RNA)
where:
Base-Base interactions energy: -108.256
where: short stacking energy: -49.451
Base-Backbone interact. energy: 0.621
local terms energy: -73.866960
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -12.869
tors. eta vs tors. theta energy: -12.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -180.727274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.727274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.727274 (E_RNA)
where:
Base-Base interactions energy: -112.952
where: short stacking energy: -52.373
Base-Backbone interact. energy: -0.125
local terms energy: -67.650029
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -15.160
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: 7, replica: 3
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -136.006352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.006352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.006352 (E_RNA)
where:
Base-Base interactions energy: -79.793
where: short stacking energy: -39.195
Base-Backbone interact. energy: -0.735
local terms energy: -55.478465
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -7.809
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: 8, replica: 10
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -99.366350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.366350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.366350 (E_RNA)
where:
Base-Base interactions energy: -47.033
where: short stacking energy: -28.741
Base-Backbone interact. energy: -0.263
local terms energy: -52.069767
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -7.524
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -13.659
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: 9, replica: 6
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -76.378455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.378455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.378455 (E_RNA)
where:
Base-Base interactions energy: -36.499
where: short stacking energy: -22.187
Base-Backbone interact. energy: -0.385
local terms energy: -39.494506
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -8.883
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -6.308
tors. eta vs tors. theta energy: 4.361
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: 4
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -70.504733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.504733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.504733 (E_RNA)
where:
Base-Base interactions energy: -31.911
where: short stacking energy: -10.477
Base-Backbone interact. energy: 0.392
local terms energy: -38.986246
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -4.901
tors. eta vs tors. theta energy: 5.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -232.022394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.022394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.022394 (E_RNA)
where:
Base-Base interactions energy: -147.485
where: short stacking energy: -72.181
Base-Backbone interact. energy: -0.033
local terms energy: -84.504098
where:
bonds (distance) C4'-P energy: -14.353
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -17.783
flat angles P-C4'-P energy: -13.134
tors. eta vs tors. theta energy: -22.564
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: 5
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -218.895480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.895480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.895480 (E_RNA)
where:
Base-Base interactions energy: -141.165
where: short stacking energy: -69.628
Base-Backbone interact. energy: -1.149
local terms energy: -76.581337
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -18.651
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -18.486
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: 213
Temperature: 1.000000
Total energy: -204.608260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.608260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.608260 (E_RNA)
where:
Base-Base interactions energy: -130.794
where: short stacking energy: -54.604
Base-Backbone interact. energy: -0.068
local terms energy: -73.746249
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -15.096
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: 4, replica: 9
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -182.040292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.040292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.040292 (E_RNA)
where:
Base-Base interactions energy: -115.611
where: short stacking energy: -56.281
Base-Backbone interact. energy: -0.186
local terms energy: -66.242409
where:
bonds (distance) C4'-P energy: -12.063
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -16.610
flat angles P-C4'-P energy: -9.178
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: 5, replica: 1
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -197.572553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.572553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.572553 (E_RNA)
where:
Base-Base interactions energy: -131.053
where: short stacking energy: -64.093
Base-Backbone interact. energy: -1.440
local terms energy: -65.079618
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -11.760
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -14.585
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: 7
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -185.319015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.319015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.319015 (E_RNA)
where:
Base-Base interactions energy: -117.402
where: short stacking energy: -53.987
Base-Backbone interact. energy: -0.254
local terms energy: -67.663792
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -12.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -161.557176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.557176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.557176 (E_RNA)
where:
Base-Base interactions energy: -94.029
where: short stacking energy: -51.788
Base-Backbone interact. energy: -0.017
local terms energy: -67.511614
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -13.188
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -16.145
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: 6
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -89.439564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.439564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.439564 (E_RNA)
where:
Base-Base interactions energy: -38.584
where: short stacking energy: -38.050
Base-Backbone interact. energy: -0.547
local terms energy: -50.308990
where:
bonds (distance) C4'-P energy: -10.598
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -11.422
flat angles P-C4'-P energy: -6.900
tors. eta vs tors. theta energy: -5.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -81.231382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.231382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.231382 (E_RNA)
where:
Base-Base interactions energy: -26.357
where: short stacking energy: -22.960
Base-Backbone interact. energy: -0.237
local terms energy: -54.637341
where:
bonds (distance) C4'-P energy: -10.196
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -13.630
tors. eta vs tors. theta energy: -0.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -82.030243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.030243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.030243 (E_RNA)
where:
Base-Base interactions energy: -37.741
where: short stacking energy: -22.308
Base-Backbone interact. energy: -0.295
local terms energy: -43.994644
where:
bonds (distance) C4'-P energy: -10.336
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -12.024
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: 4.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -228.479581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.479581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.479581 (E_RNA)
where:
Base-Base interactions energy: -151.666
where: short stacking energy: -70.974
Base-Backbone interact. energy: -0.004
local terms energy: -76.809452
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -14.280
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -21.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -228.531259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.531259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.531259 (E_RNA)
where:
Base-Base interactions energy: -151.298
where: short stacking energy: -74.684
Base-Backbone interact. energy: -0.104
local terms energy: -77.129204
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -11.574
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: 2
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -203.822938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.822938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.822938 (E_RNA)
where:
Base-Base interactions energy: -135.312
where: short stacking energy: -58.971
Base-Backbone interact. energy: -0.001
local terms energy: -68.509173
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -7.562
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: 4, replica: 9
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -194.570857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.570857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.570857 (E_RNA)
where:
Base-Base interactions energy: -128.293
where: short stacking energy: -59.251
Base-Backbone interact. energy: -0.071
local terms energy: -66.206337
where:
bonds (distance) C4'-P energy: -10.591
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -11.296
tors. eta vs tors. theta energy: -13.579
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: 214
Temperature: 1.100000
Total energy: -186.821658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.821658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.821658 (E_RNA)
where:
Base-Base interactions energy: -118.416
where: short stacking energy: -51.397
Base-Backbone interact. energy: 0.213
local terms energy: -68.618220
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -13.908
tors. eta vs tors. theta energy: -12.504
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: 6, replica: 1
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -186.674958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.674958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.674958 (E_RNA)
where:
Base-Base interactions energy: -117.648
where: short stacking energy: -57.419
Base-Backbone interact. energy: -0.003
local terms energy: -69.023845
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -17.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -143.997632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.997632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.997632 (E_RNA)
where:
Base-Base interactions energy: -89.012
where: short stacking energy: -41.634
Base-Backbone interact. energy: 0.565
local terms energy: -55.550310
where:
bonds (distance) C4'-P energy: -8.445
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -7.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -88.226741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.226741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.226741 (E_RNA)
where:
Base-Base interactions energy: -41.519
where: short stacking energy: -24.927
Base-Backbone interact. energy: 0.674
local terms energy: -47.381525
where:
bonds (distance) C4'-P energy: -8.678
bonds (distance) P-C4' energy: -13.431
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -10.812
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: 9, replica: 4
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -86.503995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.503995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.503995 (E_RNA)
where:
Base-Base interactions energy: -40.861
where: short stacking energy: -26.848
Base-Backbone interact. energy: -0.144
local terms energy: -45.498602
where:
bonds (distance) C4'-P energy: -11.201
bonds (distance) P-C4' energy: -13.446
flat angles C4'-P-C4' energy: -9.973
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -2.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -91.892240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.892240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.892240 (E_RNA)
where:
Base-Base interactions energy: -51.018
where: short stacking energy: -15.990
Base-Backbone interact. energy: -0.966
local terms energy: -39.908572
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -10.266
flat angles C4'-P-C4' energy: -2.233
flat angles P-C4'-P energy: -8.107
tors. eta vs tors. theta energy: -4.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -231.944642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.944642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.944642 (E_RNA)
where:
Base-Base interactions energy: -150.980
where: short stacking energy: -72.097
Base-Backbone interact. energy: -0.600
local terms energy: -80.364511
where:
bonds (distance) C4'-P energy: -17.179
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -20.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -213.690508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.690508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.690508 (E_RNA)
where:
Base-Base interactions energy: -137.141
where: short stacking energy: -69.301
Base-Backbone interact. energy: -0.003
local terms energy: -76.546128
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -13.154
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: 3, replica: 2
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -200.208607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.208607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.208607 (E_RNA)
where:
Base-Base interactions energy: -123.467
where: short stacking energy: -62.911
Base-Backbone interact. energy: -0.001
local terms energy: -76.740900
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -16.753
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -18.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -200.126549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.126549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.126549 (E_RNA)
where:
Base-Base interactions energy: -134.850
where: short stacking energy: -62.047
Base-Backbone interact. energy: -0.384
local terms energy: -64.893093
where:
bonds (distance) C4'-P energy: -16.417
bonds (distance) P-C4' energy: -11.734
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -6.239
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: 5, replica: 7
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -191.011612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.011612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.011612 (E_RNA)
where:
Base-Base interactions energy: -124.321
where: short stacking energy: -50.973
Base-Backbone interact. energy: 0.824
local terms energy: -67.514534
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -10.445
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -14.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -152.060352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.060352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.060352 (E_RNA)
where:
Base-Base interactions energy: -87.006
where: short stacking energy: -47.710
Base-Backbone interact. energy: -0.216
local terms energy: -64.837877
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -7.404
tors. eta vs tors. theta energy: -11.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -189.248709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.248709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.248709 (E_RNA)
where:
Base-Base interactions energy: -120.515
where: short stacking energy: -58.698
Base-Backbone interact. energy: -0.135
local terms energy: -68.599324
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -14.731
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: 8, replica: 4
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -90.548904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.548904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.548904 (E_RNA)
where:
Base-Base interactions energy: -37.924
where: short stacking energy: -37.924
Base-Backbone interact. energy: -0.785
local terms energy: -51.839644
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -9.914
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: -6.974
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: 6
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -85.655100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.655100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.655100 (E_RNA)
where:
Base-Base interactions energy: -29.049
where: short stacking energy: -27.465
Base-Backbone interact. energy: -0.112
local terms energy: -56.493520
where:
bonds (distance) C4'-P energy: -7.809
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -9.660
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -9.696
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: 10
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -81.224249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.224249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.224249 (E_RNA)
where:
Base-Base interactions energy: -33.309
where: short stacking energy: -33.309
Base-Backbone interact. energy: -0.034
local terms energy: -47.881188
where:
bonds (distance) C4'-P energy: -16.586
bonds (distance) P-C4' energy: -8.587
flat angles C4'-P-C4' energy: -6.397
flat angles P-C4'-P energy: -11.675
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: 1, replica: 5
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -233.575980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.575980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.575980 (E_RNA)
where:
Base-Base interactions energy: -157.859
where: short stacking energy: -77.545
Base-Backbone interact. energy: -0.003
local terms energy: -75.714198
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -11.659
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -11.602
tors. eta vs tors. theta energy: -22.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -218.796316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.796316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.796316 (E_RNA)
where:
Base-Base interactions energy: -146.159
where: short stacking energy: -70.717
Base-Backbone interact. energy: -0.002
local terms energy: -72.635278
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -21.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -199.878684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.878684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.878684 (E_RNA)
where:
Base-Base interactions energy: -134.850
where: short stacking energy: -70.985
Base-Backbone interact. energy: -0.088
local terms energy: -64.940944
where:
bonds (distance) C4'-P energy: -8.692
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -5.004
tors. eta vs tors. theta energy: -19.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -207.253196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.253196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.253196 (E_RNA)
where:
Base-Base interactions energy: -140.771
where: short stacking energy: -63.117
Base-Backbone interact. energy: -0.005
local terms energy: -66.477228
where:
bonds (distance) C4'-P energy: -11.919
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -17.443
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -15.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -203.830304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.830304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.830304 (E_RNA)
where:
Base-Base interactions energy: -144.348
where: short stacking energy: -57.866
Base-Backbone interact. energy: -0.127
local terms energy: -59.355162
where:
bonds (distance) C4'-P energy: -7.466
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -5.517
tors. eta vs tors. theta energy: -17.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -133.113903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.113903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.113903 (E_RNA)
where:
Base-Base interactions energy: -73.255
where: short stacking energy: -39.183
Base-Backbone interact. energy: -0.166
local terms energy: -59.692169
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -11.445
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -5.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -188.586477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.586477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.586477 (E_RNA)
where:
Base-Base interactions energy: -133.444
where: short stacking energy: -54.751
Base-Backbone interact. energy: 0.548
local terms energy: -55.690300
where:
bonds (distance) C4'-P energy: -7.546
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -11.062
flat angles P-C4'-P energy: -6.483
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: 8, replica: 4
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -114.561134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.561134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.561134 (E_RNA)
where:
Base-Base interactions energy: -62.476
where: short stacking energy: -31.310
Base-Backbone interact. energy: -0.112
local terms energy: -51.973321
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -7.552
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -7.657
tors. eta vs tors. theta energy: -5.983
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: 9, replica: 10
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -85.602138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.602138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.602138 (E_RNA)
where:
Base-Base interactions energy: -46.502
where: short stacking energy: -24.823
Base-Backbone interact. energy: -0.547
local terms energy: -38.553034
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -9.401
flat angles C4'-P-C4' energy: -8.716
flat angles P-C4'-P energy: -7.046
tors. eta vs tors. theta energy: -0.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -81.927858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.927858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.927858 (E_RNA)
where:
Base-Base interactions energy: -31.368
where: short stacking energy: -29.583
Base-Backbone interact. energy: -0.065
local terms energy: -50.494910
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -14.239
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -5.510
tors. eta vs tors. theta energy: -6.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -229.523847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.523847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.523847 (E_RNA)
where:
Base-Base interactions energy: -149.377
where: short stacking energy: -77.616
Base-Backbone interact. energy: -0.002
local terms energy: -80.145509
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -17.594
flat angles P-C4'-P energy: -9.066
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: 217
Temperature: 0.950000
Total energy: -215.875706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.875706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.875706 (E_RNA)
where:
Base-Base interactions energy: -140.819
where: short stacking energy: -68.597
Base-Backbone interact. energy: -0.002
local terms energy: -75.054969
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -11.005
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: 3, replica: 2
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -198.657997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.657997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.657997 (E_RNA)
where:
Base-Base interactions energy: -126.316
where: short stacking energy: -63.942
Base-Backbone interact. energy: -0.071
local terms energy: -72.270927
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -17.146
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -17.674
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: 7
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -208.000375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.000375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.000375 (E_RNA)
where:
Base-Base interactions energy: -142.496
where: short stacking energy: -60.984
Base-Backbone interact. energy: -0.052
local terms energy: -65.452436
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -11.352
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: -14.939
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: 9
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -190.556881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.556881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.556881 (E_RNA)
where:
Base-Base interactions energy: -130.717
where: short stacking energy: -48.998
Base-Backbone interact. energy: 0.592
local terms energy: -60.432046
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -17.410
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -7.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -174.191619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.191619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.191619 (E_RNA)
where:
Base-Base interactions energy: -113.004
where: short stacking energy: -49.570
Base-Backbone interact. energy: -0.742
local terms energy: -60.445293
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -0.795
tors. eta vs tors. theta energy: -12.534
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: 3
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -133.010299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.010299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.010299 (E_RNA)
where:
Base-Base interactions energy: -82.258
where: short stacking energy: -30.336
Base-Backbone interact. energy: -0.333
local terms energy: -50.419551
where:
bonds (distance) C4'-P energy: -10.418
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -11.568
flat angles P-C4'-P energy: -6.576
tors. eta vs tors. theta energy: -5.639
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: 10
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -86.565341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.565341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.565341 (E_RNA)
where:
Base-Base interactions energy: -34.462
where: short stacking energy: -32.424
Base-Backbone interact. energy: -0.961
local terms energy: -51.142286
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -10.397
flat angles P-C4'-P energy: -7.365
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: 9, replica: 4
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -78.107641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.107641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.107641 (E_RNA)
where:
Base-Base interactions energy: -34.696
where: short stacking energy: -30.107
Base-Backbone interact. energy: -0.832
local terms energy: -42.579898
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -9.815
flat angles C4'-P-C4' energy: -10.329
flat angles P-C4'-P energy: -5.367
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: 10, replica: 6
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -84.127778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.127778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.127778 (E_RNA)
where:
Base-Base interactions energy: -43.009
where: short stacking energy: -16.307
Base-Backbone interact. energy: 0.298
local terms energy: -41.416005
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -8.591
flat angles P-C4'-P energy: -8.858
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: 5
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -231.098191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.098191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.098191 (E_RNA)
where:
Base-Base interactions energy: -154.316
where: short stacking energy: -74.483
Base-Backbone interact. energy: -0.016
local terms energy: -76.766083
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -12.196
tors. eta vs tors. theta energy: -21.337
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: 2, replica: 8
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -204.855211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.855211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.855211 (E_RNA)
where:
Base-Base interactions energy: -135.775
where: short stacking energy: -64.405
Base-Backbone interact. energy: -0.305
local terms energy: -68.774768
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -15.079
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: 2
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -186.865068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.865068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.865068 (E_RNA)
where:
Base-Base interactions energy: -118.440
where: short stacking energy: -49.087
Base-Backbone interact. energy: -0.162
local terms energy: -68.263009
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -18.656
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -7.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -197.819826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.819826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.819826 (E_RNA)
where:
Base-Base interactions energy: -125.700
where: short stacking energy: -48.758
Base-Backbone interact. energy: -0.692
local terms energy: -71.427818
where:
bonds (distance) C4'-P energy: -10.074
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -17.815
flat angles P-C4'-P energy: -12.115
tors. eta vs tors. theta energy: -15.129
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: 1
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -194.464546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.464546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.464546 (E_RNA)
where:
Base-Base interactions energy: -133.309
where: short stacking energy: -58.691
Base-Backbone interact. energy: 1.005
local terms energy: -62.160270
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -11.980
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -9.966
tors. eta vs tors. theta energy: -12.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -188.709081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.709081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.709081 (E_RNA)
where:
Base-Base interactions energy: -128.269
where: short stacking energy: -49.342
Base-Backbone interact. energy: 0.787
local terms energy: -61.227262
where:
bonds (distance) C4'-P energy: -11.562
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -11.960
tors. eta vs tors. theta energy: -8.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -100.913031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.913031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.913031 (E_RNA)
where:
Base-Base interactions energy: -52.288
where: short stacking energy: -27.647
Base-Backbone interact. energy: -0.167
local terms energy: -48.458986
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -11.203
flat angles P-C4'-P energy: -7.760
tors. eta vs tors. theta energy: 0.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -132.068684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.068684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.068684 (E_RNA)
where:
Base-Base interactions energy: -79.276
where: short stacking energy: -42.509
Base-Backbone interact. energy: 1.822
local terms energy: -54.614551
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -10.860
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: -6.672
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: 6
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -75.358294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.358294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.358294 (E_RNA)
where:
Base-Base interactions energy: -23.448
where: short stacking energy: -22.933
Base-Backbone interact. energy: -0.280
local terms energy: -51.630665
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -13.101
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -6.230
tors. eta vs tors. theta energy: -1.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -87.215273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.215273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.215273 (E_RNA)
where:
Base-Base interactions energy: -37.024
where: short stacking energy: -20.206
Base-Backbone interact. energy: 0.956
local terms energy: -51.147183
where:
bonds (distance) C4'-P energy: -11.643
bonds (distance) P-C4' energy: -10.009
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -1.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -225.112939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.112939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.112939 (E_RNA)
where:
Base-Base interactions energy: -141.258
where: short stacking energy: -64.529
Base-Backbone interact. energy: -0.092
local terms energy: -83.762488
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -18.091
flat angles P-C4'-P energy: -13.655
tors. eta vs tors. theta energy: -18.911
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: 2, replica: 8
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -216.594217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.594217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.594217 (E_RNA)
where:
Base-Base interactions energy: -145.058
where: short stacking energy: -71.604
Base-Backbone interact. energy: -0.004
local terms energy: -71.531926
where:
bonds (distance) C4'-P energy: -16.120
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -13.644
flat angles P-C4'-P energy: -7.703
tors. eta vs tors. theta energy: -20.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -191.403583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.403583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.403583 (E_RNA)
where:
Base-Base interactions energy: -124.530
where: short stacking energy: -57.494
Base-Backbone interact. energy: -0.108
local terms energy: -66.765582
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -15.741
flat angles C4'-P-C4' energy: -17.139
flat angles P-C4'-P energy: -6.538
tors. eta vs tors. theta energy: -14.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -192.003157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.003157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.003157 (E_RNA)
where:
Base-Base interactions energy: -118.882
where: short stacking energy: -61.314
Base-Backbone interact. energy: -0.184
local terms energy: -72.936735
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -16.851
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: -15.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -177.686742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.686742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.686742 (E_RNA)
where:
Base-Base interactions energy: -112.344
where: short stacking energy: -50.824
Base-Backbone interact. energy: 0.061
local terms energy: -65.404221
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -12.804
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -11.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -175.306104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.306104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.306104 (E_RNA)
where:
Base-Base interactions energy: -116.595
where: short stacking energy: -52.311
Base-Backbone interact. energy: -0.158
local terms energy: -58.553876
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -13.834
flat angles C4'-P-C4' energy: -11.446
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -10.085
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: 10
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -126.498855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.498855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.498855 (E_RNA)
where:
Base-Base interactions energy: -74.455
where: short stacking energy: -39.408
Base-Backbone interact. energy: -0.114
local terms energy: -51.930167
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -13.643
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -3.085
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: 8, replica: 3
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -102.418986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.418986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.418986 (E_RNA)
where:
Base-Base interactions energy: -54.594
where: short stacking energy: -30.848
Base-Backbone interact. energy: -0.090
local terms energy: -47.735123
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -6.617
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: -2.657
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: 9, replica: 6
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -84.877601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.877601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.877601 (E_RNA)
where:
Base-Base interactions energy: -35.381
where: short stacking energy: -26.850
Base-Backbone interact. energy: -0.119
local terms energy: -49.378107
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -11.308
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -1.112
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: 4
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -80.993820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.993820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.993820 (E_RNA)
where:
Base-Base interactions energy: -30.231
where: short stacking energy: -28.968
Base-Backbone interact. energy: -0.197
local terms energy: -50.565343
where:
bonds (distance) C4'-P energy: -10.282
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -11.775
flat angles P-C4'-P energy: -6.973
tors. eta vs tors. theta energy: -5.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -230.504519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.504519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.504519 (E_RNA)
where:
Base-Base interactions energy: -145.682
where: short stacking energy: -79.630
Base-Backbone interact. energy: -0.295
local terms energy: -84.527386
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -19.715
flat angles P-C4'-P energy: -13.034
tors. eta vs tors. theta energy: -21.019
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: 5
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -216.724490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.724490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.724490 (E_RNA)
where:
Base-Base interactions energy: -143.807
where: short stacking energy: -66.511
Base-Backbone interact. energy: -0.353
local terms energy: -72.565211
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -19.254
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: 1
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -208.606323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.606323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.606323 (E_RNA)
where:
Base-Base interactions energy: -138.884
where: short stacking energy: -71.123
Base-Backbone interact. energy: -0.358
local terms energy: -69.363953
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -11.462
flat angles C4'-P-C4' energy: -13.022
flat angles P-C4'-P energy: -7.300
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: 4, replica: 2
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -181.767442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.767442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.767442 (E_RNA)
where:
Base-Base interactions energy: -118.850
where: short stacking energy: -57.487
Base-Backbone interact. energy: -0.639
local terms energy: -62.278569
where:
bonds (distance) C4'-P energy: -8.547
bonds (distance) P-C4' energy: -16.273
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -7.573
tors. eta vs tors. theta energy: -13.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -185.283364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.283364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.283364 (E_RNA)
where:
Base-Base interactions energy: -117.116
where: short stacking energy: -54.197
Base-Backbone interact. energy: -0.121
local terms energy: -68.046383
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -18.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -172.233103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.233103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.233103 (E_RNA)
where:
Base-Base interactions energy: -114.385
where: short stacking energy: -53.863
Base-Backbone interact. energy: -0.110
local terms energy: -57.737764
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -11.298
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -9.816
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: 3
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -100.947798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.947798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.947798 (E_RNA)
where:
Base-Base interactions energy: -47.964
where: short stacking energy: -38.629
Base-Backbone interact. energy: -0.069
local terms energy: -52.914824
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -10.428
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -6.734
tors. eta vs tors. theta energy: -10.875
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: 10
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -85.157059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.157059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.157059 (E_RNA)
where:
Base-Base interactions energy: -52.200
where: short stacking energy: -19.706
Base-Backbone interact. energy: 0.339
local terms energy: -33.295866
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -7.889
flat angles C4'-P-C4' energy: -8.480
flat angles P-C4'-P energy: -7.154
tors. eta vs tors. theta energy: 5.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -85.461149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.461149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.461149 (E_RNA)
where:
Base-Base interactions energy: -41.562
where: short stacking energy: -22.285
Base-Backbone interact. energy: -0.956
local terms energy: -42.943273
where:
bonds (distance) C4'-P energy: -7.697
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -8.422
flat angles P-C4'-P energy: -5.567
tors. eta vs tors. theta energy: -5.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -81.685987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.685987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.685987 (E_RNA)
where:
Base-Base interactions energy: -35.909
where: short stacking energy: -27.248
Base-Backbone interact. energy: -0.283
local terms energy: -45.493202
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -4.754
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: -5.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -233.471304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.471304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.471304 (E_RNA)
where:
Base-Base interactions energy: -151.448
where: short stacking energy: -73.290
Base-Backbone interact. energy: -0.054
local terms energy: -81.969512
where:
bonds (distance) C4'-P energy: -18.573
bonds (distance) P-C4' energy: -15.136
flat angles C4'-P-C4' energy: -16.710
flat angles P-C4'-P energy: -10.576
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: 5
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -222.407245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.407245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.407245 (E_RNA)
where:
Base-Base interactions energy: -143.447
where: short stacking energy: -64.881
Base-Backbone interact. energy: -0.042
local terms energy: -78.919201
where:
bonds (distance) C4'-P energy: -14.601
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -13.026
tors. eta vs tors. theta energy: -18.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -216.464207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.464207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.464207 (E_RNA)
where:
Base-Base interactions energy: -142.509
where: short stacking energy: -66.415
Base-Backbone interact. energy: -0.015
local terms energy: -73.940221
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -16.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -194.338518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.338518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.338518 (E_RNA)
where:
Base-Base interactions energy: -129.627
where: short stacking energy: -60.131
Base-Backbone interact. energy: -0.090
local terms energy: -64.620959
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -12.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -182.866550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.866550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.866550 (E_RNA)
where:
Base-Base interactions energy: -123.052
where: short stacking energy: -44.645
Base-Backbone interact. energy: -0.012
local terms energy: -59.802514
where:
bonds (distance) C4'-P energy: -10.278
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -8.963
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: 6, replica: 9
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -177.756614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.756614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.756614 (E_RNA)
where:
Base-Base interactions energy: -124.398
where: short stacking energy: -59.441
Base-Backbone interact. energy: -0.089
local terms energy: -53.270322
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -11.881
flat angles C4'-P-C4' energy: -7.516
flat angles P-C4'-P energy: -7.028
tors. eta vs tors. theta energy: -12.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -91.790734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.790734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.790734 (E_RNA)
where:
Base-Base interactions energy: -43.641
where: short stacking energy: -33.159
Base-Backbone interact. energy: -0.598
local terms energy: -47.551213
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -11.563
flat angles C4'-P-C4' energy: -9.683
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -3.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -99.527309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.527309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.527309 (E_RNA)
where:
Base-Base interactions energy: -60.437
where: short stacking energy: -26.507
Base-Backbone interact. energy: -0.660
local terms energy: -38.430532
where:
bonds (distance) C4'-P energy: -9.044
bonds (distance) P-C4' energy: -10.514
flat angles C4'-P-C4' energy: -10.139
flat angles P-C4'-P energy: -9.428
tors. eta vs tors. theta energy: 0.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -83.974624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.974624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.974624 (E_RNA)
where:
Base-Base interactions energy: -36.618
where: short stacking energy: -29.719
Base-Backbone interact. energy: -0.338
local terms energy: -47.018183
where:
bonds (distance) C4'-P energy: -11.003
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -4.176
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: 10, replica: 6
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -79.456810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.456810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.456810 (E_RNA)
where:
Base-Base interactions energy: -38.281
where: short stacking energy: -33.947
Base-Backbone interact. energy: -0.108
local terms energy: -41.068214
where:
bonds (distance) C4'-P energy: -8.733
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -5.796
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -3.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -228.415197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.415197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.415197 (E_RNA)
where:
Base-Base interactions energy: -154.721
where: short stacking energy: -72.304
Base-Backbone interact. energy: -0.032
local terms energy: -73.661778
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -10.369
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: 2, replica: 5
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -216.576047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.576047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.576047 (E_RNA)
where:
Base-Base interactions energy: -141.502
where: short stacking energy: -64.215
Base-Backbone interact. energy: -0.736
local terms energy: -74.337858
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -20.357
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: 1
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -216.188076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.188076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.188076 (E_RNA)
where:
Base-Base interactions energy: -151.228
where: short stacking energy: -67.629
Base-Backbone interact. energy: -0.704
local terms energy: -64.256946
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -16.055
flat angles C4'-P-C4' energy: -10.323
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -18.071
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: 4, replica: 7
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -185.554729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.554729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.554729 (E_RNA)
where:
Base-Base interactions energy: -122.429
where: short stacking energy: -53.719
Base-Backbone interact. energy: -0.074
local terms energy: -63.051637
where:
bonds (distance) C4'-P energy: -11.382
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -11.193
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: 5, replica: 9
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -175.592539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.592539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.592539 (E_RNA)
where:
Base-Base interactions energy: -111.499
where: short stacking energy: -43.566
Base-Backbone interact. energy: -0.213
local terms energy: -63.880928
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -10.949
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -11.497
tors. eta vs tors. theta energy: -10.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -179.984545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.984545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.984545 (E_RNA)
where:
Base-Base interactions energy: -110.814
where: short stacking energy: -59.926
Base-Backbone interact. energy: -0.605
local terms energy: -68.566067
where:
bonds (distance) C4'-P energy: -9.081
bonds (distance) P-C4' energy: -17.078
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -12.480
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: 7, replica: 4
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -102.473708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.473708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.473708 (E_RNA)
where:
Base-Base interactions energy: -51.142
where: short stacking energy: -39.201
Base-Backbone interact. energy: 0.317
local terms energy: -51.648028
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -8.717
flat angles C4'-P-C4' energy: -10.177
flat angles P-C4'-P energy: -7.979
tors. eta vs tors. theta energy: -10.403
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: 3
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -86.676804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.676804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.676804 (E_RNA)
where:
Base-Base interactions energy: -36.862
where: short stacking energy: -31.427
Base-Backbone interact. energy: -0.264
local terms energy: -49.550490
where:
bonds (distance) C4'-P energy: -16.062
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -4.940
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: 10
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -91.220258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.220258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.220258 (E_RNA)
where:
Base-Base interactions energy: -37.457
where: short stacking energy: -29.226
Base-Backbone interact. energy: -0.032
local terms energy: -53.731309
where:
bonds (distance) C4'-P energy: -14.051
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -1.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -75.301732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.301732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.301732 (E_RNA)
where:
Base-Base interactions energy: -31.021
where: short stacking energy: -31.021
Base-Backbone interact. energy: -0.593
local terms energy: -43.687049
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -13.385
flat angles C4'-P-C4' energy: -9.828
flat angles P-C4'-P energy: -8.603
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: 1, replica: 8
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -232.144483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.144483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.144483 (E_RNA)
where:
Base-Base interactions energy: -153.707
where: short stacking energy: -76.723
Base-Backbone interact. energy: -0.000
local terms energy: -78.437364
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -10.742
flat angles C4'-P-C4' energy: -16.916
flat angles P-C4'-P energy: -13.245
tors. eta vs tors. theta energy: -20.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -228.390703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.390703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.390703 (E_RNA)
where:
Base-Base interactions energy: -149.409
where: short stacking energy: -75.077
Base-Backbone interact. energy: -0.001
local terms energy: -78.980742
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -17.027
flat angles P-C4'-P energy: -8.256
tors. eta vs tors. theta energy: -20.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -211.197612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.197612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.197612 (E_RNA)
where:
Base-Base interactions energy: -138.857
where: short stacking energy: -65.153
Base-Backbone interact. energy: -0.007
local terms energy: -72.333224
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -13.154
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: -21.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -187.400221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.400221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.400221 (E_RNA)
where:
Base-Base interactions energy: -124.626
where: short stacking energy: -56.191
Base-Backbone interact. energy: -0.096
local terms energy: -62.678551
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -12.572
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -7.415
tors. eta vs tors. theta energy: -12.380
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: 7
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -187.321102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.321102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.321102 (E_RNA)
where:
Base-Base interactions energy: -122.313
where: short stacking energy: -53.482
Base-Backbone interact. energy: 0.686
local terms energy: -65.693749
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -13.185
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -6.900
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: 6, replica: 2
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -174.065041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.065041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.065041 (E_RNA)
where:
Base-Base interactions energy: -112.115
where: short stacking energy: -56.776
Base-Backbone interact. energy: -0.122
local terms energy: -61.827986
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -10.623
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -11.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -104.060992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.060992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.060992 (E_RNA)
where:
Base-Base interactions energy: -59.576
where: short stacking energy: -29.663
Base-Backbone interact. energy: -0.380
local terms energy: -44.105046
where:
bonds (distance) C4'-P energy: -9.202
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -6.285
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -3.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -82.307943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.307943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.307943 (E_RNA)
where:
Base-Base interactions energy: -30.945
where: short stacking energy: -30.945
Base-Backbone interact. energy: 0.317
local terms energy: -51.680199
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -12.134
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -3.309
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: 223
Temperature: 1.300000
Total energy: -84.406328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.406328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.406328 (E_RNA)
where:
Base-Base interactions energy: -43.250
where: short stacking energy: -27.084
Base-Backbone interact. energy: 0.199
local terms energy: -41.354791
where:
bonds (distance) C4'-P energy: -9.367
bonds (distance) P-C4' energy: -10.849
flat angles C4'-P-C4' energy: -10.469
flat angles P-C4'-P energy: -7.735
tors. eta vs tors. theta energy: -2.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -74.952386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.952386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.952386 (E_RNA)
where:
Base-Base interactions energy: -36.277
where: short stacking energy: -28.905
Base-Backbone interact. energy: -0.181
local terms energy: -38.494745
where:
bonds (distance) C4'-P energy: -10.075
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -9.776
flat angles P-C4'-P energy: -6.913
tors. eta vs tors. theta energy: 2.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -235.571799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.571799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.571799 (E_RNA)
where:
Base-Base interactions energy: -152.806
where: short stacking energy: -73.654
Base-Backbone interact. energy: 0.013
local terms energy: -82.778415
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -17.546
flat angles P-C4'-P energy: -12.947
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: 1
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -227.909763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.909763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.909763 (E_RNA)
where:
Base-Base interactions energy: -150.998
where: short stacking energy: -68.769
Base-Backbone interact. energy: -0.454
local terms energy: -76.458309
where:
bonds (distance) C4'-P energy: -15.674
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -12.910
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: 3, replica: 5
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -223.776816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.776816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.776816 (E_RNA)
where:
Base-Base interactions energy: -149.046
where: short stacking energy: -70.169
Base-Backbone interact. energy: 1.628
local terms energy: -76.359372
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -22.084
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: 9
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -189.395285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.395285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.395285 (E_RNA)
where:
Base-Base interactions energy: -120.751
where: short stacking energy: -53.570
Base-Backbone interact. energy: -0.290
local terms energy: -68.354351
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -13.885
flat angles P-C4'-P energy: -5.153
tors. eta vs tors. theta energy: -16.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -180.232986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.232986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.232986 (E_RNA)
where:
Base-Base interactions energy: -117.795
where: short stacking energy: -66.952
Base-Backbone interact. energy: -0.027
local terms energy: -62.410767
where:
bonds (distance) C4'-P energy: -12.114
bonds (distance) P-C4' energy: -13.438
flat angles C4'-P-C4' energy: -13.830
flat angles P-C4'-P energy: -7.244
tors. eta vs tors. theta energy: -15.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -173.288514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.288514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.288514 (E_RNA)
where:
Base-Base interactions energy: -103.852
where: short stacking energy: -42.252
Base-Backbone interact. energy: -0.056
local terms energy: -69.380661
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -11.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -141.289869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.289869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.289869 (E_RNA)
where:
Base-Base interactions energy: -90.717
where: short stacking energy: -34.865
Base-Backbone interact. energy: -0.014
local terms energy: -50.558829
where:
bonds (distance) C4'-P energy: -7.988
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -12.219
flat angles P-C4'-P energy: -8.649
tors. eta vs tors. theta energy: -7.176
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: 10
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -93.086349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.086349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.086349 (E_RNA)
where:
Base-Base interactions energy: -45.408
where: short stacking energy: -34.065
Base-Backbone interact. energy: -0.764
local terms energy: -46.913973
where:
bonds (distance) C4'-P energy: -9.190
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -11.257
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: -1.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -93.542565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.542565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.542565 (E_RNA)
where:
Base-Base interactions energy: -37.344
where: short stacking energy: -25.256
Base-Backbone interact. energy: -0.483
local terms energy: -55.715556
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -12.333
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -2.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -91.331335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.331335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.331335 (E_RNA)
where:
Base-Base interactions energy: -44.080
where: short stacking energy: -34.134
Base-Backbone interact. energy: -0.067
local terms energy: -47.183944
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -10.326
flat angles C4'-P-C4' energy: -10.949
flat angles P-C4'-P energy: -6.827
tors. eta vs tors. theta energy: -7.612
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: 8
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -233.402793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.402793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.402793 (E_RNA)
where:
Base-Base interactions energy: -155.493
where: short stacking energy: -70.784
Base-Backbone interact. energy: -0.312
local terms energy: -77.597459
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -11.789
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: 5
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -221.552793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.552793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.552793 (E_RNA)
where:
Base-Base interactions energy: -143.523
where: short stacking energy: -65.774
Base-Backbone interact. energy: -0.004
local terms energy: -78.026191
where:
bonds (distance) C4'-P energy: -16.555
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -11.457
flat angles P-C4'-P energy: -12.417
tors. eta vs tors. theta energy: -22.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -214.814612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.814612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.814612 (E_RNA)
where:
Base-Base interactions energy: -137.864
where: short stacking energy: -66.634
Base-Backbone interact. energy: 0.555
local terms energy: -77.505622
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -23.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -189.484306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.484306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.484306 (E_RNA)
where:
Base-Base interactions energy: -120.823
where: short stacking energy: -58.104
Base-Backbone interact. energy: -0.001
local terms energy: -68.660616
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -8.477
tors. eta vs tors. theta energy: -15.694
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: 9
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -167.755929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.755929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.755929 (E_RNA)
where:
Base-Base interactions energy: -113.739
where: short stacking energy: -45.672
Base-Backbone interact. energy: -0.159
local terms energy: -53.857734
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -14.183
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -6.465
tors. eta vs tors. theta energy: -6.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -180.368873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.368873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.368873 (E_RNA)
where:
Base-Base interactions energy: -122.826
where: short stacking energy: -61.270
Base-Backbone interact. energy: -0.122
local terms energy: -57.420638
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -2.692
tors. eta vs tors. theta energy: -13.388
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: 4
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -141.003245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.003245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.003245 (E_RNA)
where:
Base-Base interactions energy: -81.361
where: short stacking energy: -36.358
Base-Backbone interact. energy: 0.010
local terms energy: -59.652161
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -13.150
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -6.546
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: 3
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -87.896844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.896844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.896844 (E_RNA)
where:
Base-Base interactions energy: -47.294
where: short stacking energy: -18.667
Base-Backbone interact. energy: -0.726
local terms energy: -39.876724
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -9.282
flat angles C4'-P-C4' energy: -9.650
flat angles P-C4'-P energy: -11.348
tors. eta vs tors. theta energy: 2.382
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: 9, replica: 10
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -78.585392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.585392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.585392 (E_RNA)
where:
Base-Base interactions energy: -30.283
where: short stacking energy: -25.784
Base-Backbone interact. energy: -0.147
local terms energy: -48.155337
where:
bonds (distance) C4'-P energy: -10.394
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: 1.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -84.765618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.765618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.765618 (E_RNA)
where:
Base-Base interactions energy: -44.911
where: short stacking energy: -26.493
Base-Backbone interact. energy: -0.125
local terms energy: -39.729398
where:
bonds (distance) C4'-P energy: -7.410
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -12.984
flat angles P-C4'-P energy: -4.066
tors. eta vs tors. theta energy: -1.361
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: 1, replica: 5
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -230.385446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.385446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.385446 (E_RNA)
where:
Base-Base interactions energy: -151.299
where: short stacking energy: -67.841
Base-Backbone interact. energy: -0.115
local terms energy: -78.971798
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: -18.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -226.550287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.550287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.550287 (E_RNA)
where:
Base-Base interactions energy: -154.303
where: short stacking energy: -79.531
Base-Backbone interact. energy: -0.017
local terms energy: -72.231135
where:
bonds (distance) C4'-P energy: -10.804
bonds (distance) P-C4' energy: -12.259
flat angles C4'-P-C4' energy: -16.884
flat angles P-C4'-P energy: -13.174
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: 3, replica: 1
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -215.405541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.405541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.405541 (E_RNA)
where:
Base-Base interactions energy: -145.184
where: short stacking energy: -71.500
Base-Backbone interact. energy: -0.500
local terms energy: -69.721299
where:
bonds (distance) C4'-P energy: -11.879
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -17.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -194.266922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.266922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.266922 (E_RNA)
where:
Base-Base interactions energy: -127.681
where: short stacking energy: -48.654
Base-Backbone interact. energy: -0.096
local terms energy: -66.489870
where:
bonds (distance) C4'-P energy: -13.840
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -13.898
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -11.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -178.329279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.329279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.329279 (E_RNA)
where:
Base-Base interactions energy: -111.100
where: short stacking energy: -50.295
Base-Backbone interact. energy: -1.390
local terms energy: -65.840095
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -13.623
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: 9
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -144.043835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.043835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.043835 (E_RNA)
where:
Base-Base interactions energy: -92.014
where: short stacking energy: -56.259
Base-Backbone interact. energy: -0.227
local terms energy: -51.802832
where:
bonds (distance) C4'-P energy: -7.834
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -11.663
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -9.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -154.347441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.347441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.347441 (E_RNA)
where:
Base-Base interactions energy: -90.542
where: short stacking energy: -51.464
Base-Backbone interact. energy: -0.000
local terms energy: -63.805298
where:
bonds (distance) C4'-P energy: -13.339
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -11.828
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: -12.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -85.357794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.357794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.357794 (E_RNA)
where:
Base-Base interactions energy: -41.342
where: short stacking energy: -27.193
Base-Backbone interact. energy: -0.380
local terms energy: -43.635903
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -9.828
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -8.166
tors. eta vs tors. theta energy: 0.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -85.922465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.922465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.922465 (E_RNA)
where:
Base-Base interactions energy: -39.442
where: short stacking energy: -32.256
Base-Backbone interact. energy: -0.690
local terms energy: -45.790502
where:
bonds (distance) C4'-P energy: -12.015
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -9.503
flat angles P-C4'-P energy: -2.690
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: 10, replica: 10
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -74.184570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.184570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.184570 (E_RNA)
where:
Base-Base interactions energy: -24.199
where: short stacking energy: -24.192
Base-Backbone interact. energy: -0.218
local terms energy: -49.767463
where:
bonds (distance) C4'-P energy: -8.137
bonds (distance) P-C4' energy: -12.888
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: -3.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -231.719992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.719992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.719992 (E_RNA)
where:
Base-Base interactions energy: -153.795
where: short stacking energy: -75.444
Base-Backbone interact. energy: -0.114
local terms energy: -77.811661
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -11.447
flat angles P-C4'-P energy: -10.810
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: 8
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -217.776462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.776462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.776462 (E_RNA)
where:
Base-Base interactions energy: -144.085
where: short stacking energy: -70.840
Base-Backbone interact. energy: -0.013
local terms energy: -73.678407
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -16.562
flat angles P-C4'-P energy: -8.104
tors. eta vs tors. theta energy: -18.442
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: 1
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -224.188168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.188168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.188168 (E_RNA)
where:
Base-Base interactions energy: -153.605
where: short stacking energy: -71.503
Base-Backbone interact. energy: -0.073
local terms energy: -70.510219
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -10.808
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: 4, replica: 7
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -192.881219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.881219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.881219 (E_RNA)
where:
Base-Base interactions energy: -119.804
where: short stacking energy: -52.034
Base-Backbone interact. energy: -0.161
local terms energy: -72.916866
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -17.065
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -13.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -188.856130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.856130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.856130 (E_RNA)
where:
Base-Base interactions energy: -120.453
where: short stacking energy: -63.998
Base-Backbone interact. energy: -0.082
local terms energy: -68.320841
where:
bonds (distance) C4'-P energy: -11.179
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -16.948
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: -18.955
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: 4
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -168.070348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.070348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.070348 (E_RNA)
where:
Base-Base interactions energy: -99.686
where: short stacking energy: -54.165
Base-Backbone interact. energy: -0.753
local terms energy: -67.631415
where:
bonds (distance) C4'-P energy: -10.028
bonds (distance) P-C4' energy: -16.616
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -16.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -148.545547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.545547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.545547 (E_RNA)
where:
Base-Base interactions energy: -81.974
where: short stacking energy: -41.290
Base-Backbone interact. energy: -0.079
local terms energy: -66.493060
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -12.387
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: 8, replica: 6
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -91.091735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.091735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.091735 (E_RNA)
where:
Base-Base interactions energy: -29.683
where: short stacking energy: -28.911
Base-Backbone interact. energy: -0.082
local terms energy: -61.326568
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: -7.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -87.949398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.949398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.949398 (E_RNA)
where:
Base-Base interactions energy: -37.385
where: short stacking energy: -29.720
Base-Backbone interact. energy: -0.728
local terms energy: -49.835744
where:
bonds (distance) C4'-P energy: -10.653
bonds (distance) P-C4' energy: -11.893
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -3.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -77.169652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.169652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.169652 (E_RNA)
where:
Base-Base interactions energy: -27.391
where: short stacking energy: -27.391
Base-Backbone interact. energy: -0.106
local terms energy: -49.672867
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -12.156
flat angles P-C4'-P energy: -7.761
tors. eta vs tors. theta energy: -2.251
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: 1, replica: 8
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -230.999464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.999464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.999464 (E_RNA)
where:
Base-Base interactions energy: -153.020
where: short stacking energy: -70.686
Base-Backbone interact. energy: -0.030
local terms energy: -77.949947
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -14.892
flat angles P-C4'-P energy: -12.854
tors. eta vs tors. theta energy: -22.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -227.453101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.453101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.453101 (E_RNA)
where:
Base-Base interactions energy: -153.330
where: short stacking energy: -75.262
Base-Backbone interact. energy: -0.006
local terms energy: -74.117183
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -7.623
tors. eta vs tors. theta energy: -22.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -220.512789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.512789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.512789 (E_RNA)
where:
Base-Base interactions energy: -145.598
where: short stacking energy: -65.635
Base-Backbone interact. energy: -0.004
local terms energy: -74.910999
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -19.164
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: 228
Temperature: 1.050000
Total energy: -198.852391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.852391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.852391 (E_RNA)
where:
Base-Base interactions energy: -123.109
where: short stacking energy: -55.169
Base-Backbone interact. energy: -0.360
local terms energy: -75.383810
where:
bonds (distance) C4'-P energy: -16.525
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -11.767
tors. eta vs tors. theta energy: -15.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -187.132886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.132886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.132886 (E_RNA)
where:
Base-Base interactions energy: -118.547
where: short stacking energy: -56.073
Base-Backbone interact. energy: -0.003
local terms energy: -68.583369
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -12.375
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -16.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -156.880614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.880614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.880614 (E_RNA)
where:
Base-Base interactions energy: -95.417
where: short stacking energy: -51.003
Base-Backbone interact. energy: -0.294
local terms energy: -61.169309
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -6.971
tors. eta vs tors. theta energy: -11.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -120.237275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.237275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.237275 (E_RNA)
where:
Base-Base interactions energy: -62.247
where: short stacking energy: -23.762
Base-Backbone interact. energy: -0.148
local terms energy: -57.841974
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -8.312
tors. eta vs tors. theta energy: -8.394
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: 9
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -89.434489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.434489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.434489 (E_RNA)
where:
Base-Base interactions energy: -35.236
where: short stacking energy: -22.051
Base-Backbone interact. energy: 0.643
local terms energy: -54.841798
where:
bonds (distance) C4'-P energy: -17.580
bonds (distance) P-C4' energy: -12.766
flat angles C4'-P-C4' energy: -11.492
flat angles P-C4'-P energy: -7.286
tors. eta vs tors. theta energy: -5.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -77.078008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.078008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.078008 (E_RNA)
where:
Base-Base interactions energy: -29.341
where: short stacking energy: -18.867
Base-Backbone interact. energy: -0.200
local terms energy: -47.536512
where:
bonds (distance) C4'-P energy: -11.213
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -0.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -73.126160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.126160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.126160 (E_RNA)
where:
Base-Base interactions energy: -34.835
where: short stacking energy: -35.535
Base-Backbone interact. energy: -0.239
local terms energy: -38.052480
where:
bonds (distance) C4'-P energy: -3.739
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -11.906
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: 0.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -233.976022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.976022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.976022 (E_RNA)
where:
Base-Base interactions energy: -153.126
where: short stacking energy: -77.598
Base-Backbone interact. energy: -0.018
local terms energy: -80.831845
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -17.493
flat angles P-C4'-P energy: -12.334
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: 2, replica: 5
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -222.991961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.991961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.991961 (E_RNA)
where:
Base-Base interactions energy: -151.026
where: short stacking energy: -65.851
Base-Backbone interact. energy: -0.016
local terms energy: -71.950117
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -11.751
flat angles C4'-P-C4' energy: -16.899
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -17.913
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: 1
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -228.620321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.620321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.620321 (E_RNA)
where:
Base-Base interactions energy: -159.391
where: short stacking energy: -74.069
Base-Backbone interact. energy: 0.240
local terms energy: -69.469443
where:
bonds (distance) C4'-P energy: -11.842
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -15.361
flat angles P-C4'-P energy: -7.347
tors. eta vs tors. theta energy: -20.309
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: 7
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -202.130153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.130153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.130153 (E_RNA)
where:
Base-Base interactions energy: -133.036
where: short stacking energy: -59.504
Base-Backbone interact. energy: -0.006
local terms energy: -69.088604
where:
bonds (distance) C4'-P energy: -8.084
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -18.441
flat angles P-C4'-P energy: -12.269
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: 2
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -178.125077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.125077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.125077 (E_RNA)
where:
Base-Base interactions energy: -113.976
where: short stacking energy: -50.622
Base-Backbone interact. energy: -0.039
local terms energy: -64.110471
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -10.579
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: -11.911
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: 4
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -136.317138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.317138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.317138 (E_RNA)
where:
Base-Base interactions energy: -86.202
where: short stacking energy: -35.093
Base-Backbone interact. energy: -0.395
local terms energy: -49.720176
where:
bonds (distance) C4'-P energy: -17.468
bonds (distance) P-C4' energy: -9.889
flat angles C4'-P-C4' energy: -12.056
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -1.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -132.087126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.087126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.087126 (E_RNA)
where:
Base-Base interactions energy: -78.681
where: short stacking energy: -44.174
Base-Backbone interact. energy: -0.209
local terms energy: -53.196237
where:
bonds (distance) C4'-P energy: -11.736
bonds (distance) P-C4' energy: -8.130
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -9.411
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: 10
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -87.286117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.286117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.286117 (E_RNA)
where:
Base-Base interactions energy: -37.943
where: short stacking energy: -32.231
Base-Backbone interact. energy: -0.077
local terms energy: -49.266046
where:
bonds (distance) C4'-P energy: -14.888
bonds (distance) P-C4' energy: -11.557
flat angles C4'-P-C4' energy: -9.141
flat angles P-C4'-P energy: -7.323
tors. eta vs tors. theta energy: -6.358
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: 9, replica: 9
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -95.471682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.471682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.471682 (E_RNA)
where:
Base-Base interactions energy: -41.177
where: short stacking energy: -42.254
Base-Backbone interact. energy: -0.117
local terms energy: -54.177754
where:
bonds (distance) C4'-P energy: -7.467
bonds (distance) P-C4' energy: -13.097
flat angles C4'-P-C4' energy: -13.063
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -9.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -116.953802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.953802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.953802 (E_RNA)
where:
Base-Base interactions energy: -62.492
where: short stacking energy: -32.985
Base-Backbone interact. energy: -0.136
local terms energy: -54.326502
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -11.617
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -5.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -227.285368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.285368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.285368 (E_RNA)
where:
Base-Base interactions energy: -145.976
where: short stacking energy: -68.206
Base-Backbone interact. energy: -0.018
local terms energy: -81.291726
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -18.319
flat angles P-C4'-P energy: -12.750
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: 2, replica: 8
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -228.861975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.861975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.861975 (E_RNA)
where:
Base-Base interactions energy: -153.174
where: short stacking energy: -73.547
Base-Backbone interact. energy: -0.292
local terms energy: -75.396662
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -13.561
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -21.671
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: 1
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -228.603346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.603346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.603346 (E_RNA)
where:
Base-Base interactions energy: -148.559
where: short stacking energy: -70.866
Base-Backbone interact. energy: -0.425
local terms energy: -79.619002
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -14.118
flat angles C4'-P-C4' energy: -17.267
flat angles P-C4'-P energy: -12.346
tors. eta vs tors. theta energy: -22.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -187.372997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.372997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.372997 (E_RNA)
where:
Base-Base interactions energy: -120.078
where: short stacking energy: -55.344
Base-Backbone interact. energy: -0.560
local terms energy: -66.734760
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -13.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -146.459742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.459742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.459742 (E_RNA)
where:
Base-Base interactions energy: -84.086
where: short stacking energy: -39.553
Base-Backbone interact. energy: -0.199
local terms energy: -62.174477
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -5.969
tors. eta vs tors. theta energy: -8.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -177.932219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.932219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.932219 (E_RNA)
where:
Base-Base interactions energy: -117.439
where: short stacking energy: -46.535
Base-Backbone interact. energy: -0.075
local terms energy: -60.418033
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -10.450
flat angles C4'-P-C4' energy: -12.159
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -12.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -90.758245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.758245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.758245 (E_RNA)
where:
Base-Base interactions energy: -41.273
where: short stacking energy: -32.276
Base-Backbone interact. energy: -0.180
local terms energy: -49.305615
where:
bonds (distance) C4'-P energy: -12.059
bonds (distance) P-C4' energy: -10.559
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -4.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -89.677496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.677496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.677496 (E_RNA)
where:
Base-Base interactions energy: -32.777
where: short stacking energy: -32.777
Base-Backbone interact. energy: -0.167
local terms energy: -56.733285
where:
bonds (distance) C4'-P energy: -14.829
bonds (distance) P-C4' energy: -11.687
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: -5.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -115.004025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.004025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.004025 (E_RNA)
where:
Base-Base interactions energy: -64.113
where: short stacking energy: -33.517
Base-Backbone interact. energy: -0.250
local terms energy: -50.640993
where:
bonds (distance) C4'-P energy: -6.274
bonds (distance) P-C4' energy: -14.157
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -6.834
tors. eta vs tors. theta energy: -6.105
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: 9
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -84.648806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.648806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.648806 (E_RNA)
where:
Base-Base interactions energy: -42.137
where: short stacking energy: -26.123
Base-Backbone interact. energy: 0.058
local terms energy: -42.570414
where:
bonds (distance) C4'-P energy: -6.480
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -5.304
tors. eta vs tors. theta energy: -1.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -232.120939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.120939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.120939 (E_RNA)
where:
Base-Base interactions energy: -149.182
where: short stacking energy: -74.627
Base-Backbone interact. energy: -0.156
local terms energy: -82.783030
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -15.425
flat angles P-C4'-P energy: -12.871
tors. eta vs tors. theta energy: -24.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -228.446011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.446011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.446011 (E_RNA)
where:
Base-Base interactions energy: -152.299
where: short stacking energy: -72.684
Base-Backbone interact. energy: -0.041
local terms energy: -76.105942
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: -19.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -219.588754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.588754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.588754 (E_RNA)
where:
Base-Base interactions energy: -142.521
where: short stacking energy: -73.936
Base-Backbone interact. energy: -0.168
local terms energy: -76.899730
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -12.071
tors. eta vs tors. theta energy: -17.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -181.588187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.588187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.588187 (E_RNA)
where:
Base-Base interactions energy: -122.261
where: short stacking energy: -56.876
Base-Backbone interact. energy: 0.339
local terms energy: -59.666297
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -12.577
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -10.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -143.752732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.752732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.752732 (E_RNA)
where:
Base-Base interactions energy: -90.486
where: short stacking energy: -44.704
Base-Backbone interact. energy: -0.599
local terms energy: -52.667800
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -11.476
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -3.362
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: 2
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -178.789187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.789187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.789187 (E_RNA)
where:
Base-Base interactions energy: -108.774
where: short stacking energy: -53.569
Base-Backbone interact. energy: 0.543
local terms energy: -70.558349
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -16.250
flat angles C4'-P-C4' energy: -15.163
flat angles P-C4'-P energy: -12.808
tors. eta vs tors. theta energy: -10.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -93.266473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.266473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.266473 (E_RNA)
where:
Base-Base interactions energy: -42.436
where: short stacking energy: -29.139
Base-Backbone interact. energy: -0.071
local terms energy: -50.760117
where:
bonds (distance) C4'-P energy: -11.259
bonds (distance) P-C4' energy: -13.810
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -1.067
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: 3
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -125.979814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.979814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.979814 (E_RNA)
where:
Base-Base interactions energy: -67.876
where: short stacking energy: -32.964
Base-Backbone interact. energy: -0.261
local terms energy: -57.842562
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -6.242
tors. eta vs tors. theta energy: -8.274
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: 6
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -80.005494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.005494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.005494 (E_RNA)
where:
Base-Base interactions energy: -28.684
where: short stacking energy: -28.684
Base-Backbone interact. energy: -0.358
local terms energy: -50.963823
where:
bonds (distance) C4'-P energy: -12.168
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -9.289
flat angles P-C4'-P energy: -5.427
tors. eta vs tors. theta energy: -6.191
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: 9
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -82.718818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.718818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.718818 (E_RNA)
where:
Base-Base interactions energy: -40.394
where: short stacking energy: -37.238
Base-Backbone interact. energy: -0.172
local terms energy: -42.152784
where:
bonds (distance) C4'-P energy: -12.058
bonds (distance) P-C4' energy: -6.586
flat angles C4'-P-C4' energy: -8.199
flat angles P-C4'-P energy: -7.517
tors. eta vs tors. theta energy: -7.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -233.878368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.878368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.878368 (E_RNA)
where:
Base-Base interactions energy: -155.076
where: short stacking energy: -76.066
Base-Backbone interact. energy: -0.007
local terms energy: -78.796041
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -17.911
flat angles P-C4'-P energy: -12.718
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: 5
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -223.596076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.596076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.596076 (E_RNA)
where:
Base-Base interactions energy: -154.689
where: short stacking energy: -71.521
Base-Backbone interact. energy: -0.252
local terms energy: -68.654916
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -16.133
flat angles C4'-P-C4' energy: -14.586
flat angles P-C4'-P energy: -2.838
tors. eta vs tors. theta energy: -20.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -228.699335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.699335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.699335 (E_RNA)
where:
Base-Base interactions energy: -154.639
where: short stacking energy: -70.721
Base-Backbone interact. energy: -0.066
local terms energy: -73.993710
where:
bonds (distance) C4'-P energy: -15.742
bonds (distance) P-C4' energy: -11.222
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -12.724
tors. eta vs tors. theta energy: -20.082
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: 7
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -182.932733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.932733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.932733 (E_RNA)
where:
Base-Base interactions energy: -116.138
where: short stacking energy: -58.170
Base-Backbone interact. energy: -0.074
local terms energy: -66.720644
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -13.766
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -8.304
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: 5, replica: 2
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -173.999481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.999481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.999481 (E_RNA)
where:
Base-Base interactions energy: -108.809
where: short stacking energy: -54.293
Base-Backbone interact. energy: 0.064
local terms energy: -65.254427
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -14.115
flat angles C4'-P-C4' energy: -13.834
flat angles P-C4'-P energy: -9.150
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: 4
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -131.821371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.821371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.821371 (E_RNA)
where:
Base-Base interactions energy: -73.497
where: short stacking energy: -34.028
Base-Backbone interact. energy: 0.142
local terms energy: -58.466363
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -14.457
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -7.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -108.406556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.406556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.406556 (E_RNA)
where:
Base-Base interactions energy: -61.993
where: short stacking energy: -32.189
Base-Backbone interact. energy: -0.810
local terms energy: -45.604124
where:
bonds (distance) C4'-P energy: -8.618
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -3.632
tors. eta vs tors. theta energy: -6.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -82.315337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.315337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.315337 (E_RNA)
where:
Base-Base interactions energy: -52.208
where: short stacking energy: -25.023
Base-Backbone interact. energy: -0.063
local terms energy: -30.044276
where:
bonds (distance) C4'-P energy: -7.061
bonds (distance) P-C4' energy: -9.630
flat angles C4'-P-C4' energy: -10.773
flat angles P-C4'-P energy: -4.025
tors. eta vs tors. theta energy: 1.445
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: 232
Temperature: 1.300000
Total energy: -81.616220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.616220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.616220 (E_RNA)
where:
Base-Base interactions energy: -32.469
where: short stacking energy: -22.779
Base-Backbone interact. energy: -0.454
local terms energy: -48.692417
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -13.988
flat angles P-C4'-P energy: -6.654
tors. eta vs tors. theta energy: 0.480
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: 6
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -85.136492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.136492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.136492 (E_RNA)
where:
Base-Base interactions energy: -32.793
where: short stacking energy: -25.877
Base-Backbone interact. energy: -0.465
local terms energy: -51.878049
where:
bonds (distance) C4'-P energy: -14.125
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -13.381
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -2.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -229.941751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.941751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.941751 (E_RNA)
where:
Base-Base interactions energy: -156.843
where: short stacking energy: -73.925
Base-Backbone interact. energy: -0.054
local terms energy: -73.044232
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -9.915
flat angles C4'-P-C4' energy: -16.932
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -20.347
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: 2, replica: 5
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -220.747970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.747970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.747970 (E_RNA)
where:
Base-Base interactions energy: -142.321
where: short stacking energy: -62.741
Base-Backbone interact. energy: -0.297
local terms energy: -78.129966
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -20.063
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: 3, replica: 8
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -218.555680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.555680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.555680 (E_RNA)
where:
Base-Base interactions energy: -144.235
where: short stacking energy: -68.513
Base-Backbone interact. energy: -0.001
local terms energy: -74.320069
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -12.774
flat angles C4'-P-C4' energy: -17.979
flat angles P-C4'-P energy: -10.033
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: 4, replica: 2
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -186.153708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.153708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.153708 (E_RNA)
where:
Base-Base interactions energy: -120.315
where: short stacking energy: -54.863
Base-Backbone interact. energy: -0.558
local terms energy: -65.281458
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -10.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -196.186180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.186180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.186180 (E_RNA)
where:
Base-Base interactions energy: -125.764
where: short stacking energy: -65.210
Base-Backbone interact. energy: -0.083
local terms energy: -70.339687
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -12.767
flat angles C4'-P-C4' energy: -18.316
flat angles P-C4'-P energy: -5.943
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: 6, replica: 3
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -125.270027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.270027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.270027 (E_RNA)
where:
Base-Base interactions energy: -75.612
where: short stacking energy: -39.054
Base-Backbone interact. energy: -0.181
local terms energy: -49.476718
where:
bonds (distance) C4'-P energy: -11.941
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -6.143
tors. eta vs tors. theta energy: -1.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -126.874352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.874352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.874352 (E_RNA)
where:
Base-Base interactions energy: -72.870
where: short stacking energy: -41.236
Base-Backbone interact. energy: -0.082
local terms energy: -53.922161
where:
bonds (distance) C4'-P energy: -12.021
bonds (distance) P-C4' energy: -11.949
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -12.607
tors. eta vs tors. theta energy: -3.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -85.641820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.641820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.641820 (E_RNA)
where:
Base-Base interactions energy: -33.588
where: short stacking energy: -23.128
Base-Backbone interact. energy: -0.200
local terms energy: -51.853430
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -7.493
tors. eta vs tors. theta energy: -3.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -87.866941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.866941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.866941 (E_RNA)
where:
Base-Base interactions energy: -47.311
where: short stacking energy: -25.472
Base-Backbone interact. energy: -0.185
local terms energy: -40.370719
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -9.060
flat angles P-C4'-P energy: -2.725
tors. eta vs tors. theta energy: 0.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -68.004686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.004686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.004686 (E_RNA)
where:
Base-Base interactions energy: -31.090
where: short stacking energy: -27.506
Base-Backbone interact. energy: 0.685
local terms energy: -37.599933
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -9.080
flat angles P-C4'-P energy: -4.278
tors. eta vs tors. theta energy: 2.186
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: 5
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -234.506083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.506083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.506083 (E_RNA)
where:
Base-Base interactions energy: -153.922
where: short stacking energy: -75.683
Base-Backbone interact. energy: -0.001
local terms energy: -80.582622
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: -22.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -226.659767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.659767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.659767 (E_RNA)
where:
Base-Base interactions energy: -149.289
where: short stacking energy: -74.160
Base-Backbone interact. energy: -0.412
local terms energy: -76.958393
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -10.692
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: 8
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -217.570493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.570493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.570493 (E_RNA)
where:
Base-Base interactions energy: -144.929
where: short stacking energy: -72.742
Base-Backbone interact. energy: -0.018
local terms energy: -72.624074
where:
bonds (distance) C4'-P energy: -17.157
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -10.956
flat angles P-C4'-P energy: -11.159
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: 4, replica: 2
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -179.654490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.654490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.654490 (E_RNA)
where:
Base-Base interactions energy: -107.834
where: short stacking energy: -56.482
Base-Backbone interact. energy: -0.019
local terms energy: -71.801307
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -16.824
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: -14.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -181.854240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.854240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.854240 (E_RNA)
where:
Base-Base interactions energy: -112.793
where: short stacking energy: -55.761
Base-Backbone interact. energy: -0.048
local terms energy: -69.013945
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -12.132
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: 3
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -140.335271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.335271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.335271 (E_RNA)
where:
Base-Base interactions energy: -81.218
where: short stacking energy: -42.176
Base-Backbone interact. energy: -0.286
local terms energy: -58.831274
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -12.474
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -12.115
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: 4
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -130.002213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.002213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.002213 (E_RNA)
where:
Base-Base interactions energy: -70.013
where: short stacking energy: -38.847
Base-Backbone interact. energy: -0.084
local terms energy: -59.905680
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -7.281
tors. eta vs tors. theta energy: -8.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -96.608302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.608302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.608302 (E_RNA)
where:
Base-Base interactions energy: -40.039
where: short stacking energy: -25.865
Base-Backbone interact. energy: -0.138
local terms energy: -56.431104
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -3.647
tors. eta vs tors. theta energy: -9.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -80.428693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.428693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.428693 (E_RNA)
where:
Base-Base interactions energy: -31.954
where: short stacking energy: -31.800
Base-Backbone interact. energy: -0.183
local terms energy: -48.291556
where:
bonds (distance) C4'-P energy: -11.171
bonds (distance) P-C4' energy: -9.809
flat angles C4'-P-C4' energy: -10.084
flat angles P-C4'-P energy: -13.567
tors. eta vs tors. theta energy: -3.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -92.705370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.705370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.705370 (E_RNA)
where:
Base-Base interactions energy: -38.418
where: short stacking energy: -29.288
Base-Backbone interact. energy: -0.101
local terms energy: -54.186317
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -11.631
flat angles C4'-P-C4' energy: -12.029
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -6.776
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: 1, replica: 5
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -230.572775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.572775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.572775 (E_RNA)
where:
Base-Base interactions energy: -151.121
where: short stacking energy: -71.267
Base-Backbone interact. energy: -0.461
local terms energy: -78.990335
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: -13.284
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: 8
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -226.140028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.140028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.140028 (E_RNA)
where:
Base-Base interactions energy: -151.661
where: short stacking energy: -76.585
Base-Backbone interact. energy: -0.002
local terms energy: -74.477263
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -9.562
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: 3, replica: 1
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -223.442365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.442365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.442365 (E_RNA)
where:
Base-Base interactions energy: -147.736
where: short stacking energy: -74.257
Base-Backbone interact. energy: -0.001
local terms energy: -75.705592
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -14.900
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -13.093
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: 4, replica: 7
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -197.177538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.177538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.177538 (E_RNA)
where:
Base-Base interactions energy: -128.094
where: short stacking energy: -49.261
Base-Backbone interact. energy: -0.015
local terms energy: -69.068281
where:
bonds (distance) C4'-P energy: -15.492
bonds (distance) P-C4' energy: -15.758
flat angles C4'-P-C4' energy: -16.275
flat angles P-C4'-P energy: -8.840
tors. eta vs tors. theta energy: -12.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -173.124521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.124521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.124521 (E_RNA)
where:
Base-Base interactions energy: -113.434
where: short stacking energy: -46.419
Base-Backbone interact. energy: -0.284
local terms energy: -59.407029
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -5.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -136.033475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.033475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.033475 (E_RNA)
where:
Base-Base interactions energy: -79.395
where: short stacking energy: -42.961
Base-Backbone interact. energy: -1.153
local terms energy: -55.486014
where:
bonds (distance) C4'-P energy: -11.148
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -5.764
tors. eta vs tors. theta energy: -8.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -131.215806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.215806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.215806 (E_RNA)
where:
Base-Base interactions energy: -77.423
where: short stacking energy: -29.635
Base-Backbone interact. energy: -0.102
local terms energy: -53.690295
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -9.407
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -3.317
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: 8, replica: 6
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -92.349574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.349574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.349574 (E_RNA)
where:
Base-Base interactions energy: -43.478
where: short stacking energy: -30.287
Base-Backbone interact. energy: -1.277
local terms energy: -47.594525
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -12.517
flat angles C4'-P-C4' energy: -11.611
flat angles P-C4'-P energy: -5.948
tors. eta vs tors. theta energy: -0.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -97.072019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.072019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.072019 (E_RNA)
where:
Base-Base interactions energy: -41.711
where: short stacking energy: -22.436
Base-Backbone interact. energy: -0.244
local terms energy: -55.116923
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -13.977
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: 0.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -74.718343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.718343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.718343 (E_RNA)
where:
Base-Base interactions energy: -29.238
where: short stacking energy: -29.238
Base-Backbone interact. energy: -0.003
local terms energy: -45.477507
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -11.675
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: -3.480
tors. eta vs tors. theta energy: -0.688
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: 5
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -231.355577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.355577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.355577 (E_RNA)
where:
Base-Base interactions energy: -158.570
where: short stacking energy: -65.050
Base-Backbone interact. energy: -0.013
local terms energy: -72.772953
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -17.133
flat angles P-C4'-P energy: -9.474
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: 2, replica: 8
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -226.042274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.042274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.042274 (E_RNA)
where:
Base-Base interactions energy: -153.215
where: short stacking energy: -76.800
Base-Backbone interact. energy: -0.178
local terms energy: -72.649215
where:
bonds (distance) C4'-P energy: -9.919
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -16.073
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -19.265
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: 3, replica: 7
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -199.065021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.065021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.065021 (E_RNA)
where:
Base-Base interactions energy: -136.512
where: short stacking energy: -61.171
Base-Backbone interact. energy: 1.056
local terms energy: -63.608671
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -6.813
tors. eta vs tors. theta energy: -15.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -219.818251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.818251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.818251 (E_RNA)
where:
Base-Base interactions energy: -140.991
where: short stacking energy: -65.847
Base-Backbone interact. energy: -0.176
local terms energy: -78.651590
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -16.655
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -19.862
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: 2
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -185.915310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.915310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.915310 (E_RNA)
where:
Base-Base interactions energy: -115.802
where: short stacking energy: -52.095
Base-Backbone interact. energy: -0.084
local terms energy: -70.029378
where:
bonds (distance) C4'-P energy: -17.021
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -13.705
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: 236
Temperature: 1.150000
Total energy: -149.453879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.453879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.453879 (E_RNA)
where:
Base-Base interactions energy: -77.433
where: short stacking energy: -52.000
Base-Backbone interact. energy: 0.174
local terms energy: -72.194421
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -15.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -153.980103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.980103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.980103 (E_RNA)
where:
Base-Base interactions energy: -102.441
where: short stacking energy: -40.148
Base-Backbone interact. energy: 0.850
local terms energy: -52.389171
where:
bonds (distance) C4'-P energy: -9.342
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -3.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -81.336227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.336227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.336227 (E_RNA)
where:
Base-Base interactions energy: -34.314
where: short stacking energy: -22.704
Base-Backbone interact. energy: -0.516
local terms energy: -46.506273
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -10.583
flat angles P-C4'-P energy: -6.153
tors. eta vs tors. theta energy: -0.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -83.363586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.363586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.363586 (E_RNA)
where:
Base-Base interactions energy: -41.197
where: short stacking energy: -28.317
Base-Backbone interact. energy: 0.206
local terms energy: -42.372266
where:
bonds (distance) C4'-P energy: -8.886
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -5.754
flat angles P-C4'-P energy: -9.924
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: 10, replica: 9
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -81.673353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.673353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.673353 (E_RNA)
where:
Base-Base interactions energy: -38.509
where: short stacking energy: -27.328
Base-Backbone interact. energy: -0.349
local terms energy: -42.815016
where:
bonds (distance) C4'-P energy: -5.711
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: 0.111
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: 5
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -225.985940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.985940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.985940 (E_RNA)
where:
Base-Base interactions energy: -150.777
where: short stacking energy: -68.447
Base-Backbone interact. energy: -0.012
local terms energy: -75.196591
where:
bonds (distance) C4'-P energy: -17.418
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -16.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -206.940203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.940203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.940203 (E_RNA)
where:
Base-Base interactions energy: -144.618
where: short stacking energy: -65.576
Base-Backbone interact. energy: -0.116
local terms energy: -62.206209
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -10.603
flat angles C4'-P-C4' energy: -16.931
flat angles P-C4'-P energy: -6.182
tors. eta vs tors. theta energy: -13.614
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: 3, replica: 8
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -207.769276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.769276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.769276 (E_RNA)
where:
Base-Base interactions energy: -140.680
where: short stacking energy: -61.468
Base-Backbone interact. energy: 0.290
local terms energy: -67.379307
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -13.625
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -17.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -228.904619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.904619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.904619 (E_RNA)
where:
Base-Base interactions energy: -154.202
where: short stacking energy: -75.299
Base-Backbone interact. energy: -0.494
local terms energy: -74.208763
where:
bonds (distance) C4'-P energy: -10.294
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -22.317
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: 2
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -192.898838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.898838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.898838 (E_RNA)
where:
Base-Base interactions energy: -132.048
where: short stacking energy: -65.667
Base-Backbone interact. energy: -0.068
local terms energy: -60.783351
where:
bonds (distance) C4'-P energy: -9.183
bonds (distance) P-C4' energy: -16.566
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -3.468
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: 6, replica: 3
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -137.095505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.095505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.095505 (E_RNA)
where:
Base-Base interactions energy: -87.034
where: short stacking energy: -44.797
Base-Backbone interact. energy: 0.759
local terms energy: -50.820960
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -8.154
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: -4.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -132.446308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.446308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.446308 (E_RNA)
where:
Base-Base interactions energy: -70.574
where: short stacking energy: -37.601
Base-Backbone interact. energy: -0.164
local terms energy: -61.708339
where:
bonds (distance) C4'-P energy: -10.352
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -12.991
flat angles P-C4'-P energy: -12.898
tors. eta vs tors. theta energy: -12.243
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: 8, replica: 10
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -87.710218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.710218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.710218 (E_RNA)
where:
Base-Base interactions energy: -35.018
where: short stacking energy: -32.588
Base-Backbone interact. energy: -0.159
local terms energy: -52.532930
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -10.538
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: -1.666
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: 9, replica: 6
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -114.845118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.845118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.845118 (E_RNA)
where:
Base-Base interactions energy: -57.197
where: short stacking energy: -22.181
Base-Backbone interact. energy: 1.218
local terms energy: -58.866064
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -4.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -84.221153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.221153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.221153 (E_RNA)
where:
Base-Base interactions energy: -32.658
where: short stacking energy: -32.758
Base-Backbone interact. energy: -0.016
local terms energy: -51.546683
where:
bonds (distance) C4'-P energy: -13.037
bonds (distance) P-C4' energy: -13.077
flat angles C4'-P-C4' energy: -8.553
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -5.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -230.553757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.553757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.553757 (E_RNA)
where:
Base-Base interactions energy: -153.715
where: short stacking energy: -70.601
Base-Backbone interact. energy: -0.517
local terms energy: -76.321959
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -17.694
flat angles P-C4'-P energy: -9.961
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: 2, replica: 7
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -202.318309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.318309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.318309 (E_RNA)
where:
Base-Base interactions energy: -130.990
where: short stacking energy: -62.247
Base-Backbone interact. energy: -0.091
local terms energy: -71.237040
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -15.134
flat angles C4'-P-C4' energy: -17.518
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -16.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -224.089593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.089593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.089593 (E_RNA)
where:
Base-Base interactions energy: -149.407
where: short stacking energy: -72.797
Base-Backbone interact. energy: -0.009
local terms energy: -74.673978
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -17.915
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -4.264
tors. eta vs tors. theta energy: -24.164
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: 8
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -221.453819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.453819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.453819 (E_RNA)
where:
Base-Base interactions energy: -147.829
where: short stacking energy: -70.796
Base-Backbone interact. energy: -0.002
local terms energy: -73.622909
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -12.926
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -19.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -197.258203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.258203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.258203 (E_RNA)
where:
Base-Base interactions energy: -131.304
where: short stacking energy: -65.178
Base-Backbone interact. energy: -0.093
local terms energy: -65.861218
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -13.372
flat angles C4'-P-C4' energy: -11.101
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -16.857
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: 6, replica: 3
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -134.100577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.100577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.100577 (E_RNA)
where:
Base-Base interactions energy: -85.416
where: short stacking energy: -43.416
Base-Backbone interact. energy: -0.512
local terms energy: -48.172884
where:
bonds (distance) C4'-P energy: -9.262
bonds (distance) P-C4' energy: -9.685
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -6.285
tors. eta vs tors. theta energy: -9.746
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: 10
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -93.484637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.484637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.484637 (E_RNA)
where:
Base-Base interactions energy: -29.398
where: short stacking energy: -28.059
Base-Backbone interact. energy: -0.065
local terms energy: -64.021065
where:
bonds (distance) C4'-P energy: -15.728
bonds (distance) P-C4' energy: -15.419
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -6.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -129.898109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.898109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.898109 (E_RNA)
where:
Base-Base interactions energy: -79.596
where: short stacking energy: -44.296
Base-Backbone interact. energy: -0.696
local terms energy: -49.605650
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -8.902
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -0.126
tors. eta vs tors. theta energy: -12.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -95.426713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.426713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.426713 (E_RNA)
where:
Base-Base interactions energy: -43.769
where: short stacking energy: -33.845
Base-Backbone interact. energy: 1.025
local terms energy: -52.681881
where:
bonds (distance) C4'-P energy: -6.200
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -13.139
tors. eta vs tors. theta energy: -5.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -107.742062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.742062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.742062 (E_RNA)
where:
Base-Base interactions energy: -54.899
where: short stacking energy: -33.566
Base-Backbone interact. energy: -0.664
local terms energy: -52.178960
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -11.964
flat angles P-C4'-P energy: -3.268
tors. eta vs tors. theta energy: -7.477
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: 1, replica: 5
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -228.771096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.771096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.771096 (E_RNA)
where:
Base-Base interactions energy: -147.813
where: short stacking energy: -72.290
Base-Backbone interact. energy: -0.574
local terms energy: -80.383621
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -13.419
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -13.317
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: 2, replica: 1
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -224.851284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.851284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.851284 (E_RNA)
where:
Base-Base interactions energy: -145.922
where: short stacking energy: -73.983
Base-Backbone interact. energy: -0.001
local terms energy: -78.929097
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -23.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -196.380891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.380891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.380891 (E_RNA)
where:
Base-Base interactions energy: -127.981
where: short stacking energy: -60.428
Base-Backbone interact. energy: -0.199
local terms energy: -68.200278
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -11.366
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: 4, replica: 8
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -203.305928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.305928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.305928 (E_RNA)
where:
Base-Base interactions energy: -136.820
where: short stacking energy: -60.288
Base-Backbone interact. energy: -0.112
local terms energy: -66.374645
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -11.182
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -17.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -185.374546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.374546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.374546 (E_RNA)
where:
Base-Base interactions energy: -117.378
where: short stacking energy: -55.103
Base-Backbone interact. energy: -0.161
local terms energy: -67.835337
where:
bonds (distance) C4'-P energy: -11.375
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -7.592
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: 6, replica: 10
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -131.921964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.921964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.921964 (E_RNA)
where:
Base-Base interactions energy: -74.179
where: short stacking energy: -35.815
Base-Backbone interact. energy: -0.677
local terms energy: -57.065992
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -13.967
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -9.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -131.612981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.612981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.612981 (E_RNA)
where:
Base-Base interactions energy: -76.066
where: short stacking energy: -40.986
Base-Backbone interact. energy: -0.589
local terms energy: -54.957961
where:
bonds (distance) C4'-P energy: -10.767
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -8.358
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: 8, replica: 9
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -100.082413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.082413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.082413 (E_RNA)
where:
Base-Base interactions energy: -43.880
where: short stacking energy: -34.468
Base-Backbone interact. energy: -0.135
local terms energy: -56.067669
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -14.372
flat angles C4'-P-C4' energy: -12.129
flat angles P-C4'-P energy: -8.619
tors. eta vs tors. theta energy: -4.730
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: 4
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -79.558001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.558001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.558001 (E_RNA)
where:
Base-Base interactions energy: -34.668
where: short stacking energy: -24.513
Base-Backbone interact. energy: -0.292
local terms energy: -44.598548
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -2.790
tors. eta vs tors. theta energy: 1.089
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: 6
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -72.797419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.797419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.797419 (E_RNA)
where:
Base-Base interactions energy: -30.126
where: short stacking energy: -26.439
Base-Backbone interact. energy: -0.176
local terms energy: -42.495673
where:
bonds (distance) C4'-P energy: -9.897
bonds (distance) P-C4' energy: -8.430
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -8.361
tors. eta vs tors. theta energy: -3.913
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: 1, replica: 1
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -219.135824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.135824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.135824 (E_RNA)
where:
Base-Base interactions energy: -147.095
where: short stacking energy: -72.626
Base-Backbone interact. energy: -0.309
local terms energy: -71.732123
where:
bonds (distance) C4'-P energy: -16.354
bonds (distance) P-C4' energy: -12.847
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -8.741
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: 2, replica: 5
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -225.448627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.448627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.448627 (E_RNA)
where:
Base-Base interactions energy: -147.510
where: short stacking energy: -71.849
Base-Backbone interact. energy: -0.009
local terms energy: -77.929027
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -18.072
flat angles P-C4'-P energy: -13.531
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: 3, replica: 8
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -199.732959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.732959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.732959 (E_RNA)
where:
Base-Base interactions energy: -125.945
where: short stacking energy: -65.963
Base-Backbone interact. energy: 0.475
local terms energy: -74.262491
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -13.211
tors. eta vs tors. theta energy: -17.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -188.059999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.059999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.059999 (E_RNA)
where:
Base-Base interactions energy: -114.015
where: short stacking energy: -56.101
Base-Backbone interact. energy: -0.142
local terms energy: -73.903427
where:
bonds (distance) C4'-P energy: -15.920
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -8.280
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: 5, replica: 2
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -182.128754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.128754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.128754 (E_RNA)
where:
Base-Base interactions energy: -122.395
where: short stacking energy: -63.265
Base-Backbone interact. energy: -0.027
local terms energy: -59.707311
where:
bonds (distance) C4'-P energy: -17.940
bonds (distance) P-C4' energy: -8.506
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -2.987
tors. eta vs tors. theta energy: -14.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -127.658337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.658337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.658337 (E_RNA)
where:
Base-Base interactions energy: -84.616
where: short stacking energy: -32.943
Base-Backbone interact. energy: 0.664
local terms energy: -43.706449
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -15.111
flat angles C4'-P-C4' energy: -10.076
flat angles P-C4'-P energy: -4.929
tors. eta vs tors. theta energy: 1.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -91.455789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.455789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.455789 (E_RNA)
where:
Base-Base interactions energy: -40.289
where: short stacking energy: -31.506
Base-Backbone interact. energy: -0.167
local terms energy: -50.999633
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -11.270
flat angles C4'-P-C4' energy: -12.880
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -2.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -139.202179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.202179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.202179 (E_RNA)
where:
Base-Base interactions energy: -83.241
where: short stacking energy: -46.842
Base-Backbone interact. energy: -0.476
local terms energy: -55.485670
where:
bonds (distance) C4'-P energy: -9.329
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -8.017
tors. eta vs tors. theta energy: -9.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -101.229420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.229420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.229420 (E_RNA)
where:
Base-Base interactions energy: -49.545
where: short stacking energy: -41.695
Base-Backbone interact. energy: 0.431
local terms energy: -52.115464
where:
bonds (distance) C4'-P energy: -12.486
bonds (distance) P-C4' energy: -12.943
flat angles C4'-P-C4' energy: -13.075
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -2.599
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: 4
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -78.270797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.270797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.270797 (E_RNA)
where:
Base-Base interactions energy: -29.139
where: short stacking energy: -26.359
Base-Backbone interact. energy: -1.543
local terms energy: -47.588222
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -10.709
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -0.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -218.369817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.369817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.369817 (E_RNA)
where:
Base-Base interactions energy: -148.044
where: short stacking energy: -70.237
Base-Backbone interact. energy: -0.017
local terms energy: -70.308647
where:
bonds (distance) C4'-P energy: -12.706
bonds (distance) P-C4' energy: -15.496
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -16.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -235.227993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.227993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.227993 (E_RNA)
where:
Base-Base interactions energy: -158.224
where: short stacking energy: -76.063
Base-Backbone interact. energy: -0.453
local terms energy: -76.550728
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -16.215
flat angles C4'-P-C4' energy: -12.963
flat angles P-C4'-P energy: -11.414
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: 3, replica: 8
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -227.352781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.352781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.352781 (E_RNA)
where:
Base-Base interactions energy: -150.032
where: short stacking energy: -77.477
Base-Backbone interact. energy: -0.012
local terms energy: -77.308718
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -16.555
flat angles P-C4'-P energy: -13.943
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: 4, replica: 2
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -205.796891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.796891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.796891 (E_RNA)
where:
Base-Base interactions energy: -139.580
where: short stacking energy: -59.587
Base-Backbone interact. energy: -0.967
local terms energy: -65.249395
where:
bonds (distance) C4'-P energy: -10.256
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -11.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -187.425022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.425022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.425022 (E_RNA)
where:
Base-Base interactions energy: -115.125
where: short stacking energy: -57.514
Base-Backbone interact. energy: -0.344
local terms energy: -71.955914
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -17.338
flat angles P-C4'-P energy: -7.236
tors. eta vs tors. theta energy: -15.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -131.722323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.722323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.722323 (E_RNA)
where:
Base-Base interactions energy: -76.695
where: short stacking energy: -44.066
Base-Backbone interact. energy: -0.052
local terms energy: -54.975374
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -3.842
tors. eta vs tors. theta energy: -10.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -93.751082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.751082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.751082 (E_RNA)
where:
Base-Base interactions energy: -40.365
where: short stacking energy: -33.957
Base-Backbone interact. energy: -0.143
local terms energy: -53.243085
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -9.024
flat angles P-C4'-P energy: -12.216
tors. eta vs tors. theta energy: -5.095
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: 6
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -83.518025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.518025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.518025 (E_RNA)
where:
Base-Base interactions energy: -30.517
where: short stacking energy: -18.799
Base-Backbone interact. energy: 1.143
local terms energy: -54.144031
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -12.795
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -1.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -114.589944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.589944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.589944 (E_RNA)
where:
Base-Base interactions energy: -66.292
where: short stacking energy: -36.172
Base-Backbone interact. energy: -0.488
local terms energy: -47.809403
where:
bonds (distance) C4'-P energy: -7.835
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -8.693
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -6.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -83.556542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.556542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.556542 (E_RNA)
where:
Base-Base interactions energy: -44.146
where: short stacking energy: -23.762
Base-Backbone interact. energy: -0.204
local terms energy: -39.206947
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -10.221
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -5.935
tors. eta vs tors. theta energy: 3.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -229.552608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.552608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.552608 (E_RNA)
where:
Base-Base interactions energy: -153.513
where: short stacking energy: -75.052
Base-Backbone interact. energy: -0.575
local terms energy: -75.464794
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -17.111
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -21.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -228.052117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.052117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.052117 (E_RNA)
where:
Base-Base interactions energy: -153.517
where: short stacking energy: -69.079
Base-Backbone interact. energy: -0.088
local terms energy: -74.447093
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: -21.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -215.800077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.800077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.800077 (E_RNA)
where:
Base-Base interactions energy: -140.386
where: short stacking energy: -67.637
Base-Backbone interact. energy: -0.026
local terms energy: -75.387867
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -10.174
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: 4, replica: 2
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -197.107763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.107763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.107763 (E_RNA)
where:
Base-Base interactions energy: -139.540
where: short stacking energy: -62.106
Base-Backbone interact. energy: -0.046
local terms energy: -57.522031
where:
bonds (distance) C4'-P energy: -8.208
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -10.711
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -12.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -176.234776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.234776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.234776 (E_RNA)
where:
Base-Base interactions energy: -108.389
where: short stacking energy: -57.079
Base-Backbone interact. energy: -0.003
local terms energy: -67.842481
where:
bonds (distance) C4'-P energy: -10.808
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -16.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -146.476374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.476374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.476374 (E_RNA)
where:
Base-Base interactions energy: -81.262
where: short stacking energy: -55.103
Base-Backbone interact. energy: -0.022
local terms energy: -65.193244
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -12.873
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -9.420
tors. eta vs tors. theta energy: -12.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -94.641001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.641001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.641001 (E_RNA)
where:
Base-Base interactions energy: -36.020
where: short stacking energy: -36.020
Base-Backbone interact. energy: -0.095
local terms energy: -58.525891
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -2.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -89.471691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.471691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.471691 (E_RNA)
where:
Base-Base interactions energy: -44.406
where: short stacking energy: -29.856
Base-Backbone interact. energy: -0.175
local terms energy: -44.890225
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -9.416
flat angles C4'-P-C4' energy: -9.326
flat angles P-C4'-P energy: -7.235
tors. eta vs tors. theta energy: -3.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -124.333707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.333707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.333707 (E_RNA)
where:
Base-Base interactions energy: -70.560
where: short stacking energy: -37.598
Base-Backbone interact. energy: -0.043
local terms energy: -53.730815
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -4.295
tors. eta vs tors. theta energy: -9.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -75.247907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.247907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.247907 (E_RNA)
where:
Base-Base interactions energy: -23.263
where: short stacking energy: -22.286
Base-Backbone interact. energy: -0.224
local terms energy: -51.761020
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -12.853
flat angles C4'-P-C4' energy: -9.437
flat angles P-C4'-P energy: -10.874
tors. eta vs tors. theta energy: -3.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -232.890270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.890270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.890270 (E_RNA)
where:
Base-Base interactions energy: -150.828
where: short stacking energy: -76.193
Base-Backbone interact. energy: -0.173
local terms energy: -81.889911
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -13.605
tors. eta vs tors. theta energy: -21.499
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: 8
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -228.014404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.014404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.014404 (E_RNA)
where:
Base-Base interactions energy: -150.826
where: short stacking energy: -65.575
Base-Backbone interact. energy: -0.032
local terms energy: -77.156046
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -11.144
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: 3, replica: 1
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -221.069676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.069676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.069676 (E_RNA)
where:
Base-Base interactions energy: -147.037
where: short stacking energy: -63.279
Base-Backbone interact. energy: 0.276
local terms energy: -74.309017
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -18.236
flat angles P-C4'-P energy: -11.441
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: 4, replica: 7
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -182.216956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.216956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.216956 (E_RNA)
where:
Base-Base interactions energy: -121.437
where: short stacking energy: -56.475
Base-Backbone interact. energy: -0.003
local terms energy: -60.776769
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -10.558
flat angles P-C4'-P energy: -8.991
tors. eta vs tors. theta energy: -12.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -178.412279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.412279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.412279 (E_RNA)
where:
Base-Base interactions energy: -112.461
where: short stacking energy: -48.113
Base-Backbone interact. energy: -0.525
local terms energy: -65.426548
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -12.435
flat angles P-C4'-P energy: -5.941
tors. eta vs tors. theta energy: -17.286
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: 6, replica: 10
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -139.939576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.939576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.939576 (E_RNA)
where:
Base-Base interactions energy: -81.179
where: short stacking energy: -41.876
Base-Backbone interact. energy: -0.835
local terms energy: -57.926259
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -5.837
tors. eta vs tors. theta energy: -9.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -104.556890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.556890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.556890 (E_RNA)
where:
Base-Base interactions energy: -52.194
where: short stacking energy: -49.781
Base-Backbone interact. energy: -0.018
local terms energy: -52.345650
where:
bonds (distance) C4'-P energy: -9.180
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -9.317
flat angles P-C4'-P energy: -7.017
tors. eta vs tors. theta energy: -12.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -138.339000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.339000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.339000 (E_RNA)
where:
Base-Base interactions energy: -82.310
where: short stacking energy: -44.746
Base-Backbone interact. energy: -0.591
local terms energy: -55.438262
where:
bonds (distance) C4'-P energy: -11.019
bonds (distance) P-C4' energy: -11.652
flat angles C4'-P-C4' energy: -16.017
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -7.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -86.711752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.711752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.711752 (E_RNA)
where:
Base-Base interactions energy: -42.810
where: short stacking energy: -23.767
Base-Backbone interact. energy: -0.424
local terms energy: -43.477252
where:
bonds (distance) C4'-P energy: -8.841
bonds (distance) P-C4' energy: -10.933
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -7.320
tors. eta vs tors. theta energy: -1.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -87.149515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.149515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.149515 (E_RNA)
where:
Base-Base interactions energy: -33.023
where: short stacking energy: -33.023
Base-Backbone interact. energy: -0.043
local terms energy: -54.083003
where:
bonds (distance) C4'-P energy: -9.761
bonds (distance) P-C4' energy: -14.785
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -6.427
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: 1, replica: 5
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -234.035629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.035629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.035629 (E_RNA)
where:
Base-Base interactions energy: -154.691
where: short stacking energy: -75.814
Base-Backbone interact. energy: -0.024
local terms energy: -79.320980
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -12.530
tors. eta vs tors. theta energy: -20.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -224.882639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.882639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.882639 (E_RNA)
where:
Base-Base interactions energy: -150.208
where: short stacking energy: -63.798
Base-Backbone interact. energy: -0.080
local terms energy: -74.594418
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -15.718
flat angles C4'-P-C4' energy: -14.552
flat angles P-C4'-P energy: -8.836
tors. eta vs tors. theta energy: -21.129
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: 1
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -220.945877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.945877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.945877 (E_RNA)
where:
Base-Base interactions energy: -140.911
where: short stacking energy: -71.632
Base-Backbone interact. energy: -0.289
local terms energy: -79.745292
where:
bonds (distance) C4'-P energy: -15.832
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -10.064
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: 4, replica: 7
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -189.393388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.393388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.393388 (E_RNA)
where:
Base-Base interactions energy: -126.120
where: short stacking energy: -62.929
Base-Backbone interact. energy: -0.007
local terms energy: -63.265887
where:
bonds (distance) C4'-P energy: -12.230
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -15.131
flat angles P-C4'-P energy: -4.391
tors. eta vs tors. theta energy: -16.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -180.820188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.820188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.820188 (E_RNA)
where:
Base-Base interactions energy: -118.447
where: short stacking energy: -53.852
Base-Backbone interact. energy: -0.078
local terms energy: -62.295648
where:
bonds (distance) C4'-P energy: -10.982
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -9.860
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: 6, replica: 10
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -136.004218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.004218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.004218 (E_RNA)
where:
Base-Base interactions energy: -74.868
where: short stacking energy: -44.974
Base-Backbone interact. energy: -0.093
local terms energy: -61.043827
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -16.105
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -7.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -130.396496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.396496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.396496 (E_RNA)
where:
Base-Base interactions energy: -84.850
where: short stacking energy: -40.652
Base-Backbone interact. energy: -0.519
local terms energy: -45.027734
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -11.089
flat angles C4'-P-C4' energy: -8.171
flat angles P-C4'-P energy: -8.210
tors. eta vs tors. theta energy: -4.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -89.222243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.222243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.222243 (E_RNA)
where:
Base-Base interactions energy: -41.447
where: short stacking energy: -18.759
Base-Backbone interact. energy: -0.058
local terms energy: -47.716779
where:
bonds (distance) C4'-P energy: -9.826
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -10.748
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -3.584
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: 9
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -78.347783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.347783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.347783 (E_RNA)
where:
Base-Base interactions energy: -30.766
where: short stacking energy: -30.766
Base-Backbone interact. energy: 0.081
local terms energy: -47.663060
where:
bonds (distance) C4'-P energy: -11.089
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -11.926
flat angles P-C4'-P energy: -4.834
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: 10, replica: 4
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -85.735057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.735057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.735057 (E_RNA)
where:
Base-Base interactions energy: -40.327
where: short stacking energy: -25.946
Base-Backbone interact. energy: -0.524
local terms energy: -44.884089
where:
bonds (distance) C4'-P energy: -10.554
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -8.194
flat angles P-C4'-P energy: -3.841
tors. eta vs tors. theta energy: -5.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -233.360222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.360222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.360222 (E_RNA)
where:
Base-Base interactions energy: -151.094
where: short stacking energy: -79.028
Base-Backbone interact. energy: -0.002
local terms energy: -82.264487
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -16.903
flat angles P-C4'-P energy: -14.084
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: 2, replica: 1
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -226.559725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.559725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.559725 (E_RNA)
where:
Base-Base interactions energy: -149.755
where: short stacking energy: -72.445
Base-Backbone interact. energy: -0.025
local terms energy: -76.779694
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -13.132
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -10.261
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: 3, replica: 8
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -224.905060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.905060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.905060 (E_RNA)
where:
Base-Base interactions energy: -153.383
where: short stacking energy: -66.206
Base-Backbone interact. energy: -0.323
local terms energy: -71.199328
where:
bonds (distance) C4'-P energy: -13.090
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -18.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -192.104014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.104014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.104014 (E_RNA)
where:
Base-Base interactions energy: -131.699
where: short stacking energy: -58.516
Base-Backbone interact. energy: -0.076
local terms energy: -60.328492
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -12.393
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -12.956
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: 7
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -191.881956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.881956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.881956 (E_RNA)
where:
Base-Base interactions energy: -126.231
where: short stacking energy: -69.057
Base-Backbone interact. energy: -0.089
local terms energy: -65.561966
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -7.788
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: 6, replica: 3
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -140.190851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.190851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.190851 (E_RNA)
where:
Base-Base interactions energy: -87.099
where: short stacking energy: -51.954
Base-Backbone interact. energy: -0.066
local terms energy: -53.025801
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -12.255
flat angles C4'-P-C4' energy: -10.221
flat angles P-C4'-P energy: -7.606
tors. eta vs tors. theta energy: -8.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -152.438379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.438379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.438379 (E_RNA)
where:
Base-Base interactions energy: -93.774
where: short stacking energy: -42.510
Base-Backbone interact. energy: -0.015
local terms energy: -58.649527
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -12.569
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -9.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -81.346993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.346993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.346993 (E_RNA)
where:
Base-Base interactions energy: -34.081
where: short stacking energy: -33.694
Base-Backbone interact. energy: -0.043
local terms energy: -47.222932
where:
bonds (distance) C4'-P energy: -9.743
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -10.141
flat angles P-C4'-P energy: -8.222
tors. eta vs tors. theta energy: -4.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -85.330173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.330173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.330173 (E_RNA)
where:
Base-Base interactions energy: -37.075
where: short stacking energy: -24.896
Base-Backbone interact. energy: -0.313
local terms energy: -47.942755
where:
bonds (distance) C4'-P energy: -9.826
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -10.851
flat angles P-C4'-P energy: -5.978
tors. eta vs tors. theta energy: -5.497
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: 4
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -91.692956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.692956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.692956 (E_RNA)
where:
Base-Base interactions energy: -45.298
where: short stacking energy: -23.540
Base-Backbone interact. energy: -1.135
local terms energy: -45.260566
where:
bonds (distance) C4'-P energy: -13.773
bonds (distance) P-C4' energy: -13.285
flat angles C4'-P-C4' energy: -13.623
flat angles P-C4'-P energy: -4.910
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: 1, replica: 5
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -228.120182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.120182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.120182 (E_RNA)
where:
Base-Base interactions energy: -150.554
where: short stacking energy: -69.461
Base-Backbone interact. energy: -0.124
local terms energy: -77.443076
where:
bonds (distance) C4'-P energy: -17.115
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -9.201
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: 1
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -214.684865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.684865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.684865 (E_RNA)
where:
Base-Base interactions energy: -134.223
where: short stacking energy: -67.004
Base-Backbone interact. energy: -0.473
local terms energy: -79.989074
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -16.019
flat angles P-C4'-P energy: -12.734
tors. eta vs tors. theta energy: -19.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -200.199905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.199905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.199905 (E_RNA)
where:
Base-Base interactions energy: -129.295
where: short stacking energy: -61.660
Base-Backbone interact. energy: -0.077
local terms energy: -70.827873
where:
bonds (distance) C4'-P energy: -10.128
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -16.703
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: -15.819
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: 8
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -216.761042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.761042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.761042 (E_RNA)
where:
Base-Base interactions energy: -141.151
where: short stacking energy: -67.282
Base-Backbone interact. energy: -0.074
local terms energy: -75.536367
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -13.838
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -8.137
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: 5, replica: 7
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -177.814065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.814065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.814065 (E_RNA)
where:
Base-Base interactions energy: -117.411
where: short stacking energy: -56.228
Base-Backbone interact. energy: -0.004
local terms energy: -60.398412
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -13.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -153.890281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.890281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.890281 (E_RNA)
where:
Base-Base interactions energy: -91.534
where: short stacking energy: -47.501
Base-Backbone interact. energy: 0.029
local terms energy: -62.385337
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -8.154
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: 7, replica: 10
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -148.633996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.633996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.633996 (E_RNA)
where:
Base-Base interactions energy: -93.763
where: short stacking energy: -53.075
Base-Backbone interact. energy: -0.298
local terms energy: -54.572719
where:
bonds (distance) C4'-P energy: -7.384
bonds (distance) P-C4' energy: -10.341
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -13.959
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: 9
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -86.348585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.348585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.348585 (E_RNA)
where:
Base-Base interactions energy: -39.787
where: short stacking energy: -17.903
Base-Backbone interact. energy: -0.190
local terms energy: -46.371825
where:
bonds (distance) C4'-P energy: -14.373
bonds (distance) P-C4' energy: -13.586
flat angles C4'-P-C4' energy: -9.579
flat angles P-C4'-P energy: -9.994
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: 9, replica: 4
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -88.608700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.608700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.608700 (E_RNA)
where:
Base-Base interactions energy: -33.721
where: short stacking energy: -31.306
Base-Backbone interact. energy: -0.005
local terms energy: -54.882182
where:
bonds (distance) C4'-P energy: -13.576
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -16.892
flat angles P-C4'-P energy: -5.362
tors. eta vs tors. theta energy: -5.226
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: 10, replica: 6
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -76.639162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.639162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.639162 (E_RNA)
where:
Base-Base interactions energy: -28.828
where: short stacking energy: -26.685
Base-Backbone interact. energy: -0.216
local terms energy: -47.594400
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -9.769
flat angles P-C4'-P energy: -6.387
tors. eta vs tors. theta energy: -1.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -227.506712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.506712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.506712 (E_RNA)
where:
Base-Base interactions energy: -153.009
where: short stacking energy: -69.238
Base-Backbone interact. energy: -0.096
local terms energy: -74.401971
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -19.132
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -16.911
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: 2, replica: 1
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -225.636532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.636532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.636532 (E_RNA)
where:
Base-Base interactions energy: -149.311
where: short stacking energy: -67.241
Base-Backbone interact. energy: -0.762
local terms energy: -75.563769
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -12.085
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: 3, replica: 2
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -199.376553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.376553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.376553 (E_RNA)
where:
Base-Base interactions energy: -133.495
where: short stacking energy: -60.564
Base-Backbone interact. energy: 0.045
local terms energy: -65.927073
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -12.630
flat angles P-C4'-P energy: -7.267
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: 4, replica: 8
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -217.091517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.091517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.091517 (E_RNA)
where:
Base-Base interactions energy: -144.139
where: short stacking energy: -63.572
Base-Backbone interact. energy: -0.418
local terms energy: -72.534945
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -4.298
tors. eta vs tors. theta energy: -22.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -183.133956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.133956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.133956 (E_RNA)
where:
Base-Base interactions energy: -128.808
where: short stacking energy: -53.913
Base-Backbone interact. energy: 1.482
local terms energy: -55.808588
where:
bonds (distance) C4'-P energy: -9.325
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -6.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -144.778988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.778988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.778988 (E_RNA)
where:
Base-Base interactions energy: -89.989
where: short stacking energy: -45.408
Base-Backbone interact. energy: -0.287
local terms energy: -54.503120
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -11.371
flat angles C4'-P-C4' energy: -9.471
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -7.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -137.759574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.759574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.759574 (E_RNA)
where:
Base-Base interactions energy: -81.818
where: short stacking energy: -43.510
Base-Backbone interact. energy: -0.818
local terms energy: -55.123905
where:
bonds (distance) C4'-P energy: -8.506
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -5.496
tors. eta vs tors. theta energy: -9.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -102.833459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.833459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.833459 (E_RNA)
where:
Base-Base interactions energy: -38.772
where: short stacking energy: -29.875
Base-Backbone interact. energy: -0.594
local terms energy: -63.467591
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -12.990
tors. eta vs tors. theta energy: -4.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -83.281438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.281438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.281438 (E_RNA)
where:
Base-Base interactions energy: -32.281
where: short stacking energy: -20.942
Base-Backbone interact. energy: 2.837
local terms energy: -53.837324
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -2.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -84.152683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.152683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.152683 (E_RNA)
where:
Base-Base interactions energy: -30.847
where: short stacking energy: -22.769
Base-Backbone interact. energy: -0.374
local terms energy: -52.931809
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -12.262
flat angles P-C4'-P energy: -5.561
tors. eta vs tors. theta energy: -4.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -228.996942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.996942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.996942 (E_RNA)
where:
Base-Base interactions energy: -152.127
where: short stacking energy: -75.317
Base-Backbone interact. energy: -0.290
local terms energy: -76.579809
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -21.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -230.900322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.900322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.900322 (E_RNA)
where:
Base-Base interactions energy: -147.383
where: short stacking energy: -72.157
Base-Backbone interact. energy: -0.061
local terms energy: -83.456256
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -17.636
flat angles C4'-P-C4' energy: -16.971
flat angles P-C4'-P energy: -12.106
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: 3, replica: 8
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -213.872253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.872253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.872253 (E_RNA)
where:
Base-Base interactions energy: -143.251
where: short stacking energy: -71.613
Base-Backbone interact. energy: -0.094
local terms energy: -70.526529
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -12.990
flat angles P-C4'-P energy: -8.821
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: 4, replica: 2
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -194.050161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.050161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.050161 (E_RNA)
where:
Base-Base interactions energy: -126.669
where: short stacking energy: -52.411
Base-Backbone interact. energy: -0.125
local terms energy: -67.256234
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -15.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -157.517694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.517694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.517694 (E_RNA)
where:
Base-Base interactions energy: -101.386
where: short stacking energy: -53.033
Base-Backbone interact. energy: -0.237
local terms energy: -55.894112
where:
bonds (distance) C4'-P energy: -9.053
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -8.175
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: 6, replica: 7
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -179.804277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.804277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.804277 (E_RNA)
where:
Base-Base interactions energy: -118.267
where: short stacking energy: -57.926
Base-Backbone interact. energy: -0.053
local terms energy: -61.485139
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -5.808
tors. eta vs tors. theta energy: -12.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -140.012119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.012119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.012119 (E_RNA)
where:
Base-Base interactions energy: -84.276
where: short stacking energy: -44.693
Base-Backbone interact. energy: -0.381
local terms energy: -55.355669
where:
bonds (distance) C4'-P energy: -9.384
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -14.841
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: -7.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -112.531898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.531898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.531898 (E_RNA)
where:
Base-Base interactions energy: -59.417
where: short stacking energy: -38.316
Base-Backbone interact. energy: 2.144
local terms energy: -55.258619
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -10.958
flat angles C4'-P-C4' energy: -11.355
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: -8.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -80.537000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.537000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.537000 (E_RNA)
where:
Base-Base interactions energy: -27.761
where: short stacking energy: -26.710
Base-Backbone interact. energy: -0.351
local terms energy: -52.424634
where:
bonds (distance) C4'-P energy: -9.338
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -11.143
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -7.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -79.395932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.395932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.395932 (E_RNA)
where:
Base-Base interactions energy: -22.377
where: short stacking energy: -23.277
Base-Backbone interact. energy: -0.971
local terms energy: -56.048093
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -12.119
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -8.040
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: 1
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -222.921484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.921484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.921484 (E_RNA)
where:
Base-Base interactions energy: -141.418
where: short stacking energy: -66.666
Base-Backbone interact. energy: -0.064
local terms energy: -81.439794
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -10.418
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: 2, replica: 8
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -214.509237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.509237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.509237 (E_RNA)
where:
Base-Base interactions energy: -135.965
where: short stacking energy: -69.409
Base-Backbone interact. energy: -0.507
local terms energy: -78.037368
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -11.396
flat angles C4'-P-C4' energy: -17.340
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -21.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -217.476590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.476590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.476590 (E_RNA)
where:
Base-Base interactions energy: -142.877
where: short stacking energy: -69.079
Base-Backbone interact. energy: -0.053
local terms energy: -74.546827
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -3.613
tors. eta vs tors. theta energy: -22.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -192.641987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.641987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.641987 (E_RNA)
where:
Base-Base interactions energy: -133.935
where: short stacking energy: -58.739
Base-Backbone interact. energy: -0.243
local terms energy: -58.463663
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -12.596
flat angles C4'-P-C4' energy: -7.706
flat angles P-C4'-P energy: -6.413
tors. eta vs tors. theta energy: -17.113
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: 10
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -141.773210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.773210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.773210 (E_RNA)
where:
Base-Base interactions energy: -83.422
where: short stacking energy: -40.298
Base-Backbone interact. energy: -0.380
local terms energy: -57.970784
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -9.202
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: 6, replica: 7
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -166.093770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.093770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.093770 (E_RNA)
where:
Base-Base interactions energy: -103.464
where: short stacking energy: -51.476
Base-Backbone interact. energy: -0.119
local terms energy: -62.510087
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -8.114
tors. eta vs tors. theta energy: -12.208
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: 249
Temperature: 1.200000
Total energy: -144.169122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.169122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.169122 (E_RNA)
where:
Base-Base interactions energy: -94.104
where: short stacking energy: -46.602
Base-Backbone interact. energy: -1.073
local terms energy: -48.992324
where:
bonds (distance) C4'-P energy: -10.377
bonds (distance) P-C4' energy: -11.983
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -0.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -89.641648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.641648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.641648 (E_RNA)
where:
Base-Base interactions energy: -37.028
where: short stacking energy: -37.028
Base-Backbone interact. energy: -0.044
local terms energy: -52.569596
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -10.591
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -5.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -86.318424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.318424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.318424 (E_RNA)
where:
Base-Base interactions energy: -45.732
where: short stacking energy: -22.871
Base-Backbone interact. energy: -0.124
local terms energy: -40.462461
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -11.690
flat angles C4'-P-C4' energy: -10.845
flat angles P-C4'-P energy: -6.842
tors. eta vs tors. theta energy: 0.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -74.984442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.984442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.984442 (E_RNA)
where:
Base-Base interactions energy: -21.800
where: short stacking energy: -19.876
Base-Backbone interact. energy: -0.127
local terms energy: -53.058009
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -1.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -217.088974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.088974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.088974 (E_RNA)
where:
Base-Base interactions energy: -137.261
where: short stacking energy: -75.706
Base-Backbone interact. energy: -0.021
local terms energy: -79.806460
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -12.546
tors. eta vs tors. theta energy: -21.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -232.572930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.572930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.572930 (E_RNA)
where:
Base-Base interactions energy: -151.940
where: short stacking energy: -73.029
Base-Backbone interact. energy: -0.000
local terms energy: -80.632531
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -12.159
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: 3, replica: 2
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -204.042463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.042463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.042463 (E_RNA)
where:
Base-Base interactions energy: -139.464
where: short stacking energy: -59.502
Base-Backbone interact. energy: 0.821
local terms energy: -65.399663
where:
bonds (distance) C4'-P energy: -13.968
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -9.506
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: 4, replica: 5
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -198.315793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.315793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.315793 (E_RNA)
where:
Base-Base interactions energy: -131.198
where: short stacking energy: -68.245
Base-Backbone interact. energy: -0.001
local terms energy: -67.116248
where:
bonds (distance) C4'-P energy: -8.758
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -11.941
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -18.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -193.936512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.936512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.936512 (E_RNA)
where:
Base-Base interactions energy: -130.523
where: short stacking energy: -56.089
Base-Backbone interact. energy: -0.089
local terms energy: -63.324642
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -3.370
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: 10
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -166.709456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.709456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.709456 (E_RNA)
where:
Base-Base interactions energy: -105.585
where: short stacking energy: -55.291
Base-Backbone interact. energy: -0.003
local terms energy: -61.121304
where:
bonds (distance) C4'-P energy: -10.815
bonds (distance) P-C4' energy: -16.559
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -11.144
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: 3
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -145.352298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.352298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.352298 (E_RNA)
where:
Base-Base interactions energy: -90.190
where: short stacking energy: -50.139
Base-Backbone interact. energy: -0.117
local terms energy: -55.045420
where:
bonds (distance) C4'-P energy: -9.354
bonds (distance) P-C4' energy: -10.292
flat angles C4'-P-C4' energy: -16.487
flat angles P-C4'-P energy: -6.397
tors. eta vs tors. theta energy: -12.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -89.435635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.435635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.435635 (E_RNA)
where:
Base-Base interactions energy: -31.617
where: short stacking energy: -31.617
Base-Backbone interact. energy: -0.042
local terms energy: -57.776158
where:
bonds (distance) C4'-P energy: -11.303
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -4.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -84.166097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.166097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.166097 (E_RNA)
where:
Base-Base interactions energy: -36.033
where: short stacking energy: -30.434
Base-Backbone interact. energy: 1.170
local terms energy: -49.303308
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -13.857
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -6.094
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: 10, replica: 9
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -74.008041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.008041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.008041 (E_RNA)
where:
Base-Base interactions energy: -23.782
where: short stacking energy: -22.711
Base-Backbone interact. energy: -0.140
local terms energy: -50.086085
where:
bonds (distance) C4'-P energy: -10.411
bonds (distance) P-C4' energy: -16.690
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -10.677
tors. eta vs tors. theta energy: 0.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -226.222156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.222156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.222156 (E_RNA)
where:
Base-Base interactions energy: -144.546
where: short stacking energy: -76.840
Base-Backbone interact. energy: -0.164
local terms energy: -81.511777
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -11.641
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: 1
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -226.575276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.575276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.575276 (E_RNA)
where:
Base-Base interactions energy: -152.244
where: short stacking energy: -75.160
Base-Backbone interact. energy: -0.001
local terms energy: -74.330187
where:
bonds (distance) C4'-P energy: -6.320
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -16.205
flat angles P-C4'-P energy: -13.570
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: 3, replica: 2
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -202.363098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.363098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.363098 (E_RNA)
where:
Base-Base interactions energy: -133.851
where: short stacking energy: -64.730
Base-Backbone interact. energy: -0.324
local terms energy: -68.187701
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -11.747
flat angles C4'-P-C4' energy: -16.192
flat angles P-C4'-P energy: -9.879
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: 4, replica: 7
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -209.060284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.060284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.060284 (E_RNA)
where:
Base-Base interactions energy: -145.577
where: short stacking energy: -63.848
Base-Backbone interact. energy: -0.302
local terms energy: -63.181202
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -8.519
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: 5, replica: 5
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -206.111496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.111496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.111496 (E_RNA)
where:
Base-Base interactions energy: -140.462
where: short stacking energy: -64.587
Base-Backbone interact. energy: -0.034
local terms energy: -65.616147
where:
bonds (distance) C4'-P energy: -6.388
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -13.088
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: -19.958
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: 6, replica: 3
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -147.820701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.820701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.820701 (E_RNA)
where:
Base-Base interactions energy: -87.549
where: short stacking energy: -52.867
Base-Backbone interact. energy: -0.889
local terms energy: -59.382609
where:
bonds (distance) C4'-P energy: -10.901
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -8.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -134.964751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.964751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.964751 (E_RNA)
where:
Base-Base interactions energy: -80.123
where: short stacking energy: -38.087
Base-Backbone interact. energy: -0.346
local terms energy: -54.496084
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -4.370
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: 8, replica: 6
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -82.506873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.506873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.506873 (E_RNA)
where:
Base-Base interactions energy: -39.810
where: short stacking energy: -39.810
Base-Backbone interact. energy: 0.091
local terms energy: -42.787473
where:
bonds (distance) C4'-P energy: -10.525
bonds (distance) P-C4' energy: -10.481
flat angles C4'-P-C4' energy: -10.030
flat angles P-C4'-P energy: -5.576
tors. eta vs tors. theta energy: -6.176
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: 4
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -79.759380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.759380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.759380 (E_RNA)
where:
Base-Base interactions energy: -32.529
where: short stacking energy: -32.529
Base-Backbone interact. energy: -0.871
local terms energy: -46.359387
where:
bonds (distance) C4'-P energy: -10.128
bonds (distance) P-C4' energy: -10.976
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -2.295
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: 251
Temperature: 1.350000
Total energy: -72.282982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.282982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.282982 (E_RNA)
where:
Base-Base interactions energy: -33.502
where: short stacking energy: -22.328
Base-Backbone interact. energy: -0.151
local terms energy: -38.630408
where:
bonds (distance) C4'-P energy: -7.168
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -2.105
tors. eta vs tors. theta energy: -1.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -231.217661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.217661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.217661 (E_RNA)
where:
Base-Base interactions energy: -148.422
where: short stacking energy: -74.533
Base-Backbone interact. energy: -0.151
local terms energy: -82.644554
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -17.771
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -20.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -225.947988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.947988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.947988 (E_RNA)
where:
Base-Base interactions energy: -153.464
where: short stacking energy: -78.966
Base-Backbone interact. energy: 1.236
local terms energy: -73.719888
where:
bonds (distance) C4'-P energy: -9.345
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -11.446
tors. eta vs tors. theta energy: -21.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -190.768816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.768816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.768816 (E_RNA)
where:
Base-Base interactions energy: -130.068
where: short stacking energy: -65.432
Base-Backbone interact. energy: -0.220
local terms energy: -60.480553
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -4.563
tors. eta vs tors. theta energy: -13.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -194.146986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.146986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.146986 (E_RNA)
where:
Base-Base interactions energy: -127.508
where: short stacking energy: -65.680
Base-Backbone interact. energy: -0.006
local terms energy: -66.633251
where:
bonds (distance) C4'-P energy: -10.869
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -12.371
tors. eta vs tors. theta energy: -13.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -209.485277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.485277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.485277 (E_RNA)
where:
Base-Base interactions energy: -138.525
where: short stacking energy: -65.867
Base-Backbone interact. energy: -0.050
local terms energy: -70.909750
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -11.146
flat angles C4'-P-C4' energy: -14.068
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -18.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -141.574485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.574485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.574485 (E_RNA)
where:
Base-Base interactions energy: -87.643
where: short stacking energy: -35.315
Base-Backbone interact. energy: -0.185
local terms energy: -53.747054
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -12.481
flat angles C4'-P-C4' energy: -13.426
flat angles P-C4'-P energy: -6.770
tors. eta vs tors. theta energy: -5.547
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: 10
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -135.502138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.502138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.502138 (E_RNA)
where:
Base-Base interactions energy: -77.500
where: short stacking energy: -39.773
Base-Backbone interact. energy: -0.251
local terms energy: -57.750808
where:
bonds (distance) C4'-P energy: -8.976
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -12.383
tors. eta vs tors. theta energy: -8.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -85.765003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.765003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.765003 (E_RNA)
where:
Base-Base interactions energy: -34.008
where: short stacking energy: -29.750
Base-Backbone interact. energy: -0.271
local terms energy: -51.485673
where:
bonds (distance) C4'-P energy: -7.496
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -11.585
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -4.901
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: 9, replica: 9
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -80.076819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.076819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.076819 (E_RNA)
where:
Base-Base interactions energy: -30.879
where: short stacking energy: -27.829
Base-Backbone interact. energy: -0.146
local terms energy: -49.051130
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -13.904
flat angles C4'-P-C4' energy: -5.969
flat angles P-C4'-P energy: -7.723
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: 4
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -71.236183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.236183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.236183 (E_RNA)
where:
Base-Base interactions energy: -32.267
where: short stacking energy: -21.360
Base-Backbone interact. energy: -0.248
local terms energy: -38.720477
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -10.077
flat angles C4'-P-C4' energy: -9.000
flat angles P-C4'-P energy: -5.485
tors. eta vs tors. theta energy: 0.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -229.593409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.593409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.593409 (E_RNA)
where:
Base-Base interactions energy: -147.035
where: short stacking energy: -72.257
Base-Backbone interact. energy: -0.059
local terms energy: -82.499994
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -18.509
flat angles P-C4'-P energy: -10.165
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: 2, replica: 1
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -224.565834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.565834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.565834 (E_RNA)
where:
Base-Base interactions energy: -145.687
where: short stacking energy: -77.326
Base-Backbone interact. energy: -0.074
local terms energy: -78.805077
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -23.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -199.697912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.697912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.697912 (E_RNA)
where:
Base-Base interactions energy: -140.127
where: short stacking energy: -69.319
Base-Backbone interact. energy: 0.398
local terms energy: -59.969248
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -11.571
flat angles C4'-P-C4' energy: -12.120
flat angles P-C4'-P energy: -8.079
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: 4, replica: 2
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -196.868308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.868308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.868308 (E_RNA)
where:
Base-Base interactions energy: -129.959
where: short stacking energy: -58.032
Base-Backbone interact. energy: -0.421
local terms energy: -66.488165
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: -15.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -212.119756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.119756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.119756 (E_RNA)
where:
Base-Base interactions energy: -142.164
where: short stacking energy: -63.814
Base-Backbone interact. energy: -0.146
local terms energy: -69.810307
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -6.561
tors. eta vs tors. theta energy: -17.552
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: 3
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -136.152172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.152172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.152172 (E_RNA)
where:
Base-Base interactions energy: -77.445
where: short stacking energy: -34.341
Base-Backbone interact. energy: -0.599
local terms energy: -58.107625
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -13.707
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: -8.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -129.969803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.969803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.969803 (E_RNA)
where:
Base-Base interactions energy: -69.531
where: short stacking energy: -34.356
Base-Backbone interact. energy: -0.595
local terms energy: -59.843999
where:
bonds (distance) C4'-P energy: -11.600
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -13.266
tors. eta vs tors. theta energy: -4.109
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: 8, replica: 9
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -79.909772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.909772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.909772 (E_RNA)
where:
Base-Base interactions energy: -35.183
where: short stacking energy: -34.038
Base-Backbone interact. energy: -0.078
local terms energy: -44.648487
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -12.799
flat angles P-C4'-P energy: -5.734
tors. eta vs tors. theta energy: 1.798
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: 6
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -77.653445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.653445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.653445 (E_RNA)
where:
Base-Base interactions energy: -29.043
where: short stacking energy: -27.619
Base-Backbone interact. energy: 1.202
local terms energy: -49.812132
where:
bonds (distance) C4'-P energy: -11.275
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -6.598
tors. eta vs tors. theta energy: -1.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -77.263350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.263350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.263350 (E_RNA)
where:
Base-Base interactions energy: -26.180
where: short stacking energy: -26.180
Base-Backbone interact. energy: -0.210
local terms energy: -50.873697
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -2.513
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: 1
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -233.114102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.114102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.114102 (E_RNA)
where:
Base-Base interactions energy: -154.117
where: short stacking energy: -76.479
Base-Backbone interact. energy: -0.226
local terms energy: -78.771047
where:
bonds (distance) C4'-P energy: -15.505
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -13.375
flat angles P-C4'-P energy: -13.663
tors. eta vs tors. theta energy: -19.602
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: 8
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -225.464203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.464203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.464203 (E_RNA)
where:
Base-Base interactions energy: -149.221
where: short stacking energy: -71.654
Base-Backbone interact. energy: -0.676
local terms energy: -75.567442
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -7.275
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: 3, replica: 2
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -207.148689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.148689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.148689 (E_RNA)
where:
Base-Base interactions energy: -138.133
where: short stacking energy: -64.701
Base-Backbone interact. energy: -0.458
local terms energy: -68.557218
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -10.595
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -15.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -189.062907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.062907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.062907 (E_RNA)
where:
Base-Base interactions energy: -125.686
where: short stacking energy: -64.757
Base-Backbone interact. energy: -0.003
local terms energy: -63.374130
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -13.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -218.137923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.137923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.137923 (E_RNA)
where:
Base-Base interactions energy: -139.715
where: short stacking energy: -65.520
Base-Backbone interact. energy: -0.291
local terms energy: -78.132243
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -10.076
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: 6, replica: 3
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -149.751594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.751594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.751594 (E_RNA)
where:
Base-Base interactions energy: -92.332
where: short stacking energy: -55.310
Base-Backbone interact. energy: -0.479
local terms energy: -56.940175
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -11.348
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -5.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -135.550964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.550964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.550964 (E_RNA)
where:
Base-Base interactions energy: -71.889
where: short stacking energy: -42.951
Base-Backbone interact. energy: -0.060
local terms energy: -63.601848
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -8.751
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: 8, replica: 9
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -121.218630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.218630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.218630 (E_RNA)
where:
Base-Base interactions energy: -64.223
where: short stacking energy: -34.847
Base-Backbone interact. energy: -0.142
local terms energy: -56.854130
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -0.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -81.244359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.244359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.244359 (E_RNA)
where:
Base-Base interactions energy: -32.358
where: short stacking energy: -25.549
Base-Backbone interact. energy: -0.131
local terms energy: -48.755286
where:
bonds (distance) C4'-P energy: -11.518
bonds (distance) P-C4' energy: -13.568
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -5.521
tors. eta vs tors. theta energy: -4.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -75.231002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.231002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.231002 (E_RNA)
where:
Base-Base interactions energy: -28.049
where: short stacking energy: -29.149
Base-Backbone interact. energy: -0.157
local terms energy: -47.025194
where:
bonds (distance) C4'-P energy: -3.846
bonds (distance) P-C4' energy: -12.787
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -12.226
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: 1, replica: 1
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -224.540458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.540458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.540458 (E_RNA)
where:
Base-Base interactions energy: -147.602
where: short stacking energy: -71.345
Base-Backbone interact. energy: -0.016
local terms energy: -76.922755
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -18.323
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -17.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -226.618051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.618051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.618051 (E_RNA)
where:
Base-Base interactions energy: -151.377
where: short stacking energy: -75.702
Base-Backbone interact. energy: -0.045
local terms energy: -75.196303
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -17.596
flat angles P-C4'-P energy: -6.796
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: 3, replica: 2
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -190.482314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.482314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.482314 (E_RNA)
where:
Base-Base interactions energy: -121.480
where: short stacking energy: -54.342
Base-Backbone interact. energy: -0.326
local terms energy: -68.676016
where:
bonds (distance) C4'-P energy: -14.623
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -14.330
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: 5
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -213.403475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.403475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.403475 (E_RNA)
where:
Base-Base interactions energy: -145.158
where: short stacking energy: -61.688
Base-Backbone interact. energy: -0.088
local terms energy: -68.157182
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -12.070
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -8.160
tors. eta vs tors. theta energy: -18.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -198.357180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.357180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.357180 (E_RNA)
where:
Base-Base interactions energy: -134.391
where: short stacking energy: -52.246
Base-Backbone interact. energy: -1.170
local terms energy: -62.796905
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -12.655
flat angles C4'-P-C4' energy: -11.650
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: -16.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -125.847083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.847083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.847083 (E_RNA)
where:
Base-Base interactions energy: -68.814
where: short stacking energy: -36.704
Base-Backbone interact. energy: -0.096
local terms energy: -56.936962
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -3.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -117.628491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.628491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.628491 (E_RNA)
where:
Base-Base interactions energy: -70.409
where: short stacking energy: -39.896
Base-Backbone interact. energy: -0.011
local terms energy: -47.208153
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -10.547
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -4.362
tors. eta vs tors. theta energy: -6.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -88.454021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.454021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.454021 (E_RNA)
where:
Base-Base interactions energy: -44.176
where: short stacking energy: -30.731
Base-Backbone interact. energy: -0.695
local terms energy: -43.582841
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -9.386
flat angles P-C4'-P energy: -6.417
tors. eta vs tors. theta energy: -0.116
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: 255
Temperature: 1.300000
Total energy: -86.296959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.296959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.296959 (E_RNA)
where:
Base-Base interactions energy: -35.062
where: short stacking energy: -35.062
Base-Backbone interact. energy: -0.006
local terms energy: -51.229269
where:
bonds (distance) C4'-P energy: -7.793
bonds (distance) P-C4' energy: -13.798
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -6.841
tors. eta vs tors. theta energy: -8.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -84.317558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.317558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.317558 (E_RNA)
where:
Base-Base interactions energy: -33.859
where: short stacking energy: -24.306
Base-Backbone interact. energy: -2.471
local terms energy: -47.987197
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -9.611
flat angles C4'-P-C4' energy: -10.408
flat angles P-C4'-P energy: -9.239
tors. eta vs tors. theta energy: -3.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -237.483435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.483435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.483435 (E_RNA)
where:
Base-Base interactions energy: -155.725
where: short stacking energy: -76.680
Base-Backbone interact. energy: -0.001
local terms energy: -81.757514
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -12.950
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: 2, replica: 1
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -224.040005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.040005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.040005 (E_RNA)
where:
Base-Base interactions energy: -149.924
where: short stacking energy: -62.218
Base-Backbone interact. energy: -0.920
local terms energy: -73.195825
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -9.938
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: 3, replica: 5
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -216.729879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.729879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.729879 (E_RNA)
where:
Base-Base interactions energy: -140.631
where: short stacking energy: -64.521
Base-Backbone interact. energy: 0.145
local terms energy: -76.244186
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -17.100
flat angles P-C4'-P energy: -6.070
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: 4, replica: 2
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -190.993550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.993550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.993550 (E_RNA)
where:
Base-Base interactions energy: -121.161
where: short stacking energy: -49.167
Base-Backbone interact. energy: -0.037
local terms energy: -69.795822
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -17.482
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -11.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -187.289711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.289711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.289711 (E_RNA)
where:
Base-Base interactions energy: -117.221
where: short stacking energy: -52.123
Base-Backbone interact. energy: 0.232
local terms energy: -70.300911
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: -15.651
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: 6, replica: 10
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -110.703396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.703396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.703396 (E_RNA)
where:
Base-Base interactions energy: -64.396
where: short stacking energy: -30.429
Base-Backbone interact. energy: 0.661
local terms energy: -46.967724
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -1.691
tors. eta vs tors. theta energy: -1.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -126.116163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.116163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.116163 (E_RNA)
where:
Base-Base interactions energy: -67.237
where: short stacking energy: -33.492
Base-Backbone interact. energy: -0.021
local terms energy: -58.858571
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -12.105
tors. eta vs tors. theta energy: -6.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -97.481439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.481439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.481439 (E_RNA)
where:
Base-Base interactions energy: -47.609
where: short stacking energy: -47.609
Base-Backbone interact. energy: -0.095
local terms energy: -49.777122
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -6.522
flat angles C4'-P-C4' energy: -12.501
flat angles P-C4'-P energy: -8.077
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: 9, replica: 6
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -96.487172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.487172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.487172 (E_RNA)
where:
Base-Base interactions energy: -57.402
where: short stacking energy: -26.743
Base-Backbone interact. energy: 0.188
local terms energy: -39.273163
where:
bonds (distance) C4'-P energy: -8.137
bonds (distance) P-C4' energy: -8.754
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -8.169
tors. eta vs tors. theta energy: -0.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -70.453866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.453866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.453866 (E_RNA)
where:
Base-Base interactions energy: -32.553
where: short stacking energy: -23.404
Base-Backbone interact. energy: -0.320
local terms energy: -37.580768
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -12.418
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -1.596
tors. eta vs tors. theta energy: 5.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -229.796698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.796698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.796698 (E_RNA)
where:
Base-Base interactions energy: -151.883
where: short stacking energy: -73.567
Base-Backbone interact. energy: -0.452
local terms energy: -77.461840
where:
bonds (distance) C4'-P energy: -16.466
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -8.236
tors. eta vs tors. theta energy: -21.522
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: 1
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -220.151313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.151313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.151313 (E_RNA)
where:
Base-Base interactions energy: -145.410
where: short stacking energy: -64.437
Base-Backbone interact. energy: -0.040
local terms energy: -74.701822
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -19.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -216.645841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.645841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.645841 (E_RNA)
where:
Base-Base interactions energy: -141.878
where: short stacking energy: -67.850
Base-Backbone interact. energy: -0.185
local terms energy: -74.582656
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -13.967
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -19.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -173.234664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.234664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.234664 (E_RNA)
where:
Base-Base interactions energy: -121.172
where: short stacking energy: -45.583
Base-Backbone interact. energy: -0.140
local terms energy: -51.922084
where:
bonds (distance) C4'-P energy: -8.817
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: -6.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -189.446349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.446349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.446349 (E_RNA)
where:
Base-Base interactions energy: -127.014
where: short stacking energy: -48.341
Base-Backbone interact. energy: -0.192
local terms energy: -62.241032
where:
bonds (distance) C4'-P energy: -5.548
bonds (distance) P-C4' energy: -18.895
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -14.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -136.372898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.372898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.372898 (E_RNA)
where:
Base-Base interactions energy: -90.181
where: short stacking energy: -40.316
Base-Backbone interact. energy: -0.482
local terms energy: -45.709588
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -10.816
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -4.873
tors. eta vs tors. theta energy: -1.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -103.497213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.497213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.497213 (E_RNA)
where:
Base-Base interactions energy: -41.947
where: short stacking energy: -30.333
Base-Backbone interact. energy: -0.176
local terms energy: -61.374205
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -7.852
tors. eta vs tors. theta energy: -9.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -82.190245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.190245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.190245 (E_RNA)
where:
Base-Base interactions energy: -31.302
where: short stacking energy: -30.483
Base-Backbone interact. energy: -0.290
local terms energy: -50.598875
where:
bonds (distance) C4'-P energy: -10.617
bonds (distance) P-C4' energy: -13.087
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -8.556
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: 9, replica: 6
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -86.998284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.998284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.998284 (E_RNA)
where:
Base-Base interactions energy: -38.125
where: short stacking energy: -34.161
Base-Backbone interact. energy: -0.466
local terms energy: -48.406920
where:
bonds (distance) C4'-P energy: -10.497
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: -3.853
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: 9
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -68.760341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.760341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.760341 (E_RNA)
where:
Base-Base interactions energy: -22.361
where: short stacking energy: -17.516
Base-Backbone interact. energy: -0.253
local terms energy: -46.146482
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -12.738
flat angles C4'-P-C4' energy: -12.409
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: 0.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -232.512799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.512799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.512799 (E_RNA)
where:
Base-Base interactions energy: -155.263
where: short stacking energy: -73.710
Base-Backbone interact. energy: -0.002
local terms energy: -77.247912
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -9.047
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: 2, replica: 8
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -224.976264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.976264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.976264 (E_RNA)
where:
Base-Base interactions energy: -144.559
where: short stacking energy: -66.746
Base-Backbone interact. energy: -0.665
local terms energy: -79.751847
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -12.061
flat angles P-C4'-P energy: -13.165
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: 3, replica: 5
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -222.675675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.675675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.675675 (E_RNA)
where:
Base-Base interactions energy: -148.211
where: short stacking energy: -71.183
Base-Backbone interact. energy: -0.013
local terms energy: -74.452089
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -13.576
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: 7
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -195.162968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.162968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.162968 (E_RNA)
where:
Base-Base interactions energy: -135.099
where: short stacking energy: -55.098
Base-Backbone interact. energy: -0.109
local terms energy: -59.955872
where:
bonds (distance) C4'-P energy: -10.699
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -14.178
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -8.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -199.048724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.048724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.048724 (E_RNA)
where:
Base-Base interactions energy: -136.981
where: short stacking energy: -56.800
Base-Backbone interact. energy: -0.052
local terms energy: -62.015463
where:
bonds (distance) C4'-P energy: -13.323
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -2.559
tors. eta vs tors. theta energy: -14.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -132.566087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.566087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.566087 (E_RNA)
where:
Base-Base interactions energy: -91.954
where: short stacking energy: -35.631
Base-Backbone interact. energy: -1.177
local terms energy: -39.434586
where:
bonds (distance) C4'-P energy: -6.017
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -11.114
flat angles P-C4'-P energy: -5.296
tors. eta vs tors. theta energy: -1.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -87.361492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.361492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.361492 (E_RNA)
where:
Base-Base interactions energy: -42.335
where: short stacking energy: -30.253
Base-Backbone interact. energy: -0.197
local terms energy: -44.829505
where:
bonds (distance) C4'-P energy: -7.505
bonds (distance) P-C4' energy: -15.041
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -6.428
tors. eta vs tors. theta energy: -3.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -87.032291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.032291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.032291 (E_RNA)
where:
Base-Base interactions energy: -38.176
where: short stacking energy: -23.713
Base-Backbone interact. energy: -0.224
local terms energy: -48.632181
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -11.665
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: 3.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -77.950654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.950654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.950654 (E_RNA)
where:
Base-Base interactions energy: -24.348
where: short stacking energy: -24.348
Base-Backbone interact. energy: -0.015
local terms energy: -53.588074
where:
bonds (distance) C4'-P energy: -17.596
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -12.274
flat angles P-C4'-P energy: -7.008
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: 9
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -74.091721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.091721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.091721 (E_RNA)
where:
Base-Base interactions energy: -26.402
where: short stacking energy: -17.801
Base-Backbone interact. energy: -0.676
local terms energy: -47.013280
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -8.954
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -1.473
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: 1
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -232.010761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.010761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.010761 (E_RNA)
where:
Base-Base interactions energy: -154.318
where: short stacking energy: -78.106
Base-Backbone interact. energy: -0.007
local terms energy: -77.685030
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -21.267
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: 2, replica: 8
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -229.542159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.542159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.542159 (E_RNA)
where:
Base-Base interactions energy: -153.854
where: short stacking energy: -67.496
Base-Backbone interact. energy: -0.004
local terms energy: -75.684265
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -8.624
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: 3, replica: 5
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -222.578807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.578807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.578807 (E_RNA)
where:
Base-Base interactions energy: -141.682
where: short stacking energy: -63.381
Base-Backbone interact. energy: -0.001
local terms energy: -80.895934
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -11.472
tors. eta vs tors. theta energy: -22.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -194.611924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.611924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.611924 (E_RNA)
where:
Base-Base interactions energy: -128.268
where: short stacking energy: -57.551
Base-Backbone interact. energy: -0.100
local terms energy: -66.244390
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -13.702
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -11.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -185.555485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.555485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.555485 (E_RNA)
where:
Base-Base interactions energy: -116.605
where: short stacking energy: -56.324
Base-Backbone interact. energy: -0.003
local terms energy: -68.948108
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -14.944
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -8.885
tors. eta vs tors. theta energy: -15.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -135.015689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.015689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.015689 (E_RNA)
where:
Base-Base interactions energy: -77.631
where: short stacking energy: -48.395
Base-Backbone interact. energy: 0.101
local terms energy: -57.485050
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -12.536
flat angles P-C4'-P energy: -6.034
tors. eta vs tors. theta energy: -8.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -100.085056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.085056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.085056 (E_RNA)
where:
Base-Base interactions energy: -42.728
where: short stacking energy: -35.693
Base-Backbone interact. energy: -0.006
local terms energy: -57.350924
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -13.379
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -7.033
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: 6
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -84.564892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.564892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.564892 (E_RNA)
where:
Base-Base interactions energy: -30.101
where: short stacking energy: -30.024
Base-Backbone interact. energy: -0.054
local terms energy: -54.409146
where:
bonds (distance) C4'-P energy: -17.158
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -11.894
flat angles P-C4'-P energy: -4.353
tors. eta vs tors. theta energy: -7.133
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: 10
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -76.939587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.939587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.939587 (E_RNA)
where:
Base-Base interactions energy: -32.241
where: short stacking energy: -28.914
Base-Backbone interact. energy: -0.277
local terms energy: -44.421753
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -11.881
flat angles C4'-P-C4' energy: -9.204
flat angles P-C4'-P energy: -8.450
tors. eta vs tors. theta energy: 0.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -77.631236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.631236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.631236 (E_RNA)
where:
Base-Base interactions energy: -29.028
where: short stacking energy: -29.028
Base-Backbone interact. energy: -0.093
local terms energy: -48.510325
where:
bonds (distance) C4'-P energy: -7.399
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -12.776
flat angles P-C4'-P energy: -12.606
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: 8
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -227.698954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.698954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.698954 (E_RNA)
where:
Base-Base interactions energy: -151.306
where: short stacking energy: -69.889
Base-Backbone interact. energy: -0.010
local terms energy: -76.383339
where:
bonds (distance) C4'-P energy: -14.830
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -9.566
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: 2, replica: 1
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -224.098436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.098436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.098436 (E_RNA)
where:
Base-Base interactions energy: -152.332
where: short stacking energy: -68.267
Base-Backbone interact. energy: -0.245
local terms energy: -71.521868
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -20.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -207.845784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.845784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.845784 (E_RNA)
where:
Base-Base interactions energy: -130.714
where: short stacking energy: -65.508
Base-Backbone interact. energy: -0.166
local terms energy: -76.965710
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -16.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -218.627748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.627748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.627748 (E_RNA)
where:
Base-Base interactions energy: -137.756
where: short stacking energy: -61.268
Base-Backbone interact. energy: -0.002
local terms energy: -80.869737
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -17.776
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -18.473
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: 7
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -182.109556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.109556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.109556 (E_RNA)
where:
Base-Base interactions energy: -120.178
where: short stacking energy: -55.835
Base-Backbone interact. energy: -0.001
local terms energy: -61.929966
where:
bonds (distance) C4'-P energy: -9.487
bonds (distance) P-C4' energy: -15.179
flat angles C4'-P-C4' energy: -12.006
flat angles P-C4'-P energy: -6.933
tors. eta vs tors. theta energy: -18.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -122.778461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.778461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.778461 (E_RNA)
where:
Base-Base interactions energy: -72.782
where: short stacking energy: -38.306
Base-Backbone interact. energy: -0.050
local terms energy: -49.946532
where:
bonds (distance) C4'-P energy: -9.347
bonds (distance) P-C4' energy: -12.371
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -6.843
tors. eta vs tors. theta energy: -8.338
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: 6
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -88.605027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.605027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.605027 (E_RNA)
where:
Base-Base interactions energy: -30.438
where: short stacking energy: -27.173
Base-Backbone interact. energy: -0.233
local terms energy: -57.934394
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -12.969
flat angles P-C4'-P energy: -9.442
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: 8, replica: 4
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -86.505497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.505497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.505497 (E_RNA)
where:
Base-Base interactions energy: -34.726
where: short stacking energy: -34.522
Base-Backbone interact. energy: -0.322
local terms energy: -51.457020
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -12.191
flat angles P-C4'-P energy: -7.914
tors. eta vs tors. theta energy: -5.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -82.303426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.303426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.303426 (E_RNA)
where:
Base-Base interactions energy: -32.567
where: short stacking energy: -25.154
Base-Backbone interact. energy: -0.058
local terms energy: -49.678175
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -13.162
flat angles C4'-P-C4' energy: -13.059
flat angles P-C4'-P energy: -3.248
tors. eta vs tors. theta energy: -7.907
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: 10, replica: 10
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -85.954156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.954156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.954156 (E_RNA)
where:
Base-Base interactions energy: -40.674
where: short stacking energy: -32.567
Base-Backbone interact. energy: 0.200
local terms energy: -45.479860
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -12.640
flat angles P-C4'-P energy: -5.577
tors. eta vs tors. theta energy: 0.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -229.159964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.159964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.159964 (E_RNA)
where:
Base-Base interactions energy: -149.615
where: short stacking energy: -62.615
Base-Backbone interact. energy: -0.732
local terms energy: -78.812848
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -17.665
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -10.053
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: 2, replica: 1
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -219.667179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.667179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.667179 (E_RNA)
where:
Base-Base interactions energy: -143.604
where: short stacking energy: -67.493
Base-Backbone interact. energy: -0.006
local terms energy: -76.056492
where:
bonds (distance) C4'-P energy: -15.053
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -6.896
tors. eta vs tors. theta energy: -21.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -196.960490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.960490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.960490 (E_RNA)
where:
Base-Base interactions energy: -124.778
where: short stacking energy: -56.538
Base-Backbone interact. energy: -0.183
local terms energy: -72.000025
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -14.189
flat angles C4'-P-C4' energy: -17.403
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -14.219
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: 5
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -215.492257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.492257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.492257 (E_RNA)
where:
Base-Base interactions energy: -140.596
where: short stacking energy: -72.917
Base-Backbone interact. energy: -0.023
local terms energy: -74.873137
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -18.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -180.166062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.166062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.166062 (E_RNA)
where:
Base-Base interactions energy: -116.151
where: short stacking energy: -55.435
Base-Backbone interact. energy: -0.233
local terms energy: -63.781801
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -13.463
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -6.679
tors. eta vs tors. theta energy: -12.420
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: 6, replica: 3
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -133.209865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.209865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.209865 (E_RNA)
where:
Base-Base interactions energy: -74.596
where: short stacking energy: -41.590
Base-Backbone interact. energy: -0.033
local terms energy: -58.581001
where:
bonds (distance) C4'-P energy: -9.275
bonds (distance) P-C4' energy: -15.091
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -9.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -99.687223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.687223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.687223 (E_RNA)
where:
Base-Base interactions energy: -39.342
where: short stacking energy: -39.342
Base-Backbone interact. energy: -0.007
local terms energy: -60.338574
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: -7.426
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: 261
Temperature: 1.250000
Total energy: -95.829538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.829538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.829538 (E_RNA)
where:
Base-Base interactions energy: -43.062
where: short stacking energy: -40.108
Base-Backbone interact. energy: -0.122
local terms energy: -52.645492
where:
bonds (distance) C4'-P energy: -9.590
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -8.698
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: 4
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -82.668696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.668696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.668696 (E_RNA)
where:
Base-Base interactions energy: -32.968
where: short stacking energy: -22.457
Base-Backbone interact. energy: -0.545
local terms energy: -49.155545
where:
bonds (distance) C4'-P energy: -16.968
bonds (distance) P-C4' energy: -9.074
flat angles C4'-P-C4' energy: -11.439
flat angles P-C4'-P energy: -10.909
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: 10, replica: 10
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -115.075215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.075215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.075215 (E_RNA)
where:
Base-Base interactions energy: -75.763
where: short stacking energy: -40.952
Base-Backbone interact. energy: 0.364
local terms energy: -39.676834
where:
bonds (distance) C4'-P energy: -9.414
bonds (distance) P-C4' energy: -12.936
flat angles C4'-P-C4' energy: -8.711
flat angles P-C4'-P energy: -3.855
tors. eta vs tors. theta energy: -4.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -229.362210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.362210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.362210 (E_RNA)
where:
Base-Base interactions energy: -149.770
where: short stacking energy: -72.164
Base-Backbone interact. energy: -0.001
local terms energy: -79.590369
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -16.852
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -21.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -230.747270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.747270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.747270 (E_RNA)
where:
Base-Base interactions energy: -149.636
where: short stacking energy: -73.698
Base-Backbone interact. energy: -0.839
local terms energy: -80.271726
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -16.483
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -20.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -218.617722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.617722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.617722 (E_RNA)
where:
Base-Base interactions energy: -148.091
where: short stacking energy: -67.396
Base-Backbone interact. energy: -0.001
local terms energy: -70.525713
where:
bonds (distance) C4'-P energy: -8.563
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -16.331
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -19.722
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: 2
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -194.530489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.530489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.530489 (E_RNA)
where:
Base-Base interactions energy: -133.109
where: short stacking energy: -52.632
Base-Backbone interact. energy: -0.369
local terms energy: -61.052861
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -11.096
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -6.422
tors. eta vs tors. theta energy: -13.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -204.936492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.936492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.936492 (E_RNA)
where:
Base-Base interactions energy: -136.323
where: short stacking energy: -57.336
Base-Backbone interact. energy: -0.487
local terms energy: -68.126944
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -16.090
flat angles C4'-P-C4' energy: -8.210
flat angles P-C4'-P energy: -10.582
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: 6, replica: 3
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -139.471143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.471143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.471143 (E_RNA)
where:
Base-Base interactions energy: -84.687
where: short stacking energy: -50.455
Base-Backbone interact. energy: -0.252
local terms energy: -54.532569
where:
bonds (distance) C4'-P energy: -11.984
bonds (distance) P-C4' energy: -13.379
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -3.034
tors. eta vs tors. theta energy: -12.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -95.569806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.569806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.569806 (E_RNA)
where:
Base-Base interactions energy: -45.267
where: short stacking energy: -22.255
Base-Backbone interact. energy: -0.374
local terms energy: -49.928431
where:
bonds (distance) C4'-P energy: -11.268
bonds (distance) P-C4' energy: -16.770
flat angles C4'-P-C4' energy: -12.932
flat angles P-C4'-P energy: -6.179
tors. eta vs tors. theta energy: -2.780
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: 6
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -92.143049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.143049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.143049 (E_RNA)
where:
Base-Base interactions energy: -39.420
where: short stacking energy: -39.420
Base-Backbone interact. energy: -0.007
local terms energy: -52.715548
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -12.003
flat angles P-C4'-P energy: -12.563
tors. eta vs tors. theta energy: -2.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -87.507292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.507292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.507292 (E_RNA)
where:
Base-Base interactions energy: -32.926
where: short stacking energy: -27.231
Base-Backbone interact. energy: -0.271
local terms energy: -54.310164
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -16.056
flat angles C4'-P-C4' energy: -12.429
flat angles P-C4'-P energy: -9.978
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: 10, replica: 4
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -78.241773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.241773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.241773 (E_RNA)
where:
Base-Base interactions energy: -32.072
where: short stacking energy: -30.928
Base-Backbone interact. energy: -0.228
local terms energy: -45.941744
where:
bonds (distance) C4'-P energy: -10.575
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -13.479
flat angles P-C4'-P energy: -7.658
tors. eta vs tors. theta energy: -0.482
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: 1
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -223.947994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.947994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.947994 (E_RNA)
where:
Base-Base interactions energy: -155.254
where: short stacking energy: -72.754
Base-Backbone interact. energy: -0.225
local terms energy: -68.468080
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -11.336
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -19.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -231.047746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.047746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.047746 (E_RNA)
where:
Base-Base interactions energy: -149.002
where: short stacking energy: -76.470
Base-Backbone interact. energy: -0.005
local terms energy: -82.040625
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -17.106
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -22.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -223.530764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.530764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.530764 (E_RNA)
where:
Base-Base interactions energy: -148.416
where: short stacking energy: -65.702
Base-Backbone interact. energy: -0.294
local terms energy: -74.820919
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -12.260
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -12.590
tors. eta vs tors. theta energy: -20.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -209.561353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.561353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.561353 (E_RNA)
where:
Base-Base interactions energy: -139.474
where: short stacking energy: -59.187
Base-Backbone interact. energy: 0.084
local terms energy: -70.171127
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -9.898
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: 5, replica: 2
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -198.448600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.448600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.448600 (E_RNA)
where:
Base-Base interactions energy: -130.732
where: short stacking energy: -51.648
Base-Backbone interact. energy: -0.003
local terms energy: -67.713422
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -13.446
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -6.833
tors. eta vs tors. theta energy: -15.724
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: 3
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -135.450448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.450448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.450448 (E_RNA)
where:
Base-Base interactions energy: -76.468
where: short stacking energy: -47.650
Base-Backbone interact. energy: -0.029
local terms energy: -58.953759
where:
bonds (distance) C4'-P energy: -11.375
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -7.713
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: 263
Temperature: 1.200000
Total energy: -88.137465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.137465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.137465 (E_RNA)
where:
Base-Base interactions energy: -35.568
where: short stacking energy: -35.568
Base-Backbone interact. energy: -0.108
local terms energy: -52.462217
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -10.439
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -5.731
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: 8, replica: 10
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -84.185625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.185625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.185625 (E_RNA)
where:
Base-Base interactions energy: -31.417
where: short stacking energy: -26.713
Base-Backbone interact. energy: -0.252
local terms energy: -52.516592
where:
bonds (distance) C4'-P energy: -15.607
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -6.266
tors. eta vs tors. theta energy: -0.288
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: 6
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -74.084311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.084311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.084311 (E_RNA)
where:
Base-Base interactions energy: -25.609
where: short stacking energy: -25.609
Base-Backbone interact. energy: -0.044
local terms energy: -48.431427
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -4.684
flat angles P-C4'-P energy: -6.213
tors. eta vs tors. theta energy: -4.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -77.188181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.188181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.188181 (E_RNA)
where:
Base-Base interactions energy: -24.786
where: short stacking energy: -24.786
Base-Backbone interact. energy: -0.166
local terms energy: -52.235679
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -6.245
tors. eta vs tors. theta energy: -2.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -222.627914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.627914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.627914 (E_RNA)
where:
Base-Base interactions energy: -140.049
where: short stacking energy: -68.452
Base-Backbone interact. energy: 0.404
local terms energy: -82.982447
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -19.000
flat angles P-C4'-P energy: -14.074
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: 2, replica: 1
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -228.460609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.460609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.460609 (E_RNA)
where:
Base-Base interactions energy: -150.294
where: short stacking energy: -74.039
Base-Backbone interact. energy: 0.735
local terms energy: -78.902098
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -17.310
flat angles P-C4'-P energy: -12.335
tors. eta vs tors. theta energy: -20.863
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: 3, replica: 7
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -207.967663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.967663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.967663 (E_RNA)
where:
Base-Base interactions energy: -132.868
where: short stacking energy: -54.538
Base-Backbone interact. energy: -0.003
local terms energy: -75.096150
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -18.595
flat angles P-C4'-P energy: -8.786
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: 4, replica: 8
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -224.733068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.733068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.733068 (E_RNA)
where:
Base-Base interactions energy: -148.565
where: short stacking energy: -67.595
Base-Backbone interact. energy: -0.003
local terms energy: -76.164712
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -13.361
tors. eta vs tors. theta energy: -21.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -190.529488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.529488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.529488 (E_RNA)
where:
Base-Base interactions energy: -121.475
where: short stacking energy: -56.057
Base-Backbone interact. energy: -0.118
local terms energy: -68.935780
where:
bonds (distance) C4'-P energy: -9.363
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -17.077
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -15.926
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: 6, replica: 3
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -118.525491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.525491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.525491 (E_RNA)
where:
Base-Base interactions energy: -66.443
where: short stacking energy: -36.190
Base-Backbone interact. energy: -0.066
local terms energy: -52.017072
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -11.023
flat angles C4'-P-C4' energy: -10.769
flat angles P-C4'-P energy: -11.171
tors. eta vs tors. theta energy: -5.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -99.294831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.294831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.294831 (E_RNA)
where:
Base-Base interactions energy: -41.881
where: short stacking energy: -33.351
Base-Backbone interact. energy: -0.148
local terms energy: -57.266210
where:
bonds (distance) C4'-P energy: -13.770
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -16.191
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -1.603
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: 9
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -89.647072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.647072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.647072 (E_RNA)
where:
Base-Base interactions energy: -37.681
where: short stacking energy: -27.634
Base-Backbone interact. energy: -0.037
local terms energy: -51.929134
where:
bonds (distance) C4'-P energy: -8.435
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -13.262
flat angles P-C4'-P energy: -9.022
tors. eta vs tors. theta energy: -5.286
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: 4
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -106.654934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.654934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.654934 (E_RNA)
where:
Base-Base interactions energy: -67.746
where: short stacking energy: -30.079
Base-Backbone interact. energy: -0.196
local terms energy: -38.712150
where:
bonds (distance) C4'-P energy: -10.861
bonds (distance) P-C4' energy: -6.277
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: -1.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -89.556776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.556776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.556776 (E_RNA)
where:
Base-Base interactions energy: -49.896
where: short stacking energy: -35.226
Base-Backbone interact. energy: -0.411
local terms energy: -39.250334
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -10.596
flat angles C4'-P-C4' energy: -8.789
flat angles P-C4'-P energy: -2.624
tors. eta vs tors. theta energy: -5.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -230.683461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.683461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.683461 (E_RNA)
where:
Base-Base interactions energy: -158.088
where: short stacking energy: -74.852
Base-Backbone interact. energy: -0.048
local terms energy: -72.547684
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -10.761
tors. eta vs tors. theta energy: -18.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -207.859301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.859301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.859301 (E_RNA)
where:
Base-Base interactions energy: -144.685
where: short stacking energy: -57.480
Base-Backbone interact. energy: -0.020
local terms energy: -63.154301
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -9.802
flat angles P-C4'-P energy: -8.597
tors. eta vs tors. theta energy: -12.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -214.328171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.328171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.328171 (E_RNA)
where:
Base-Base interactions energy: -144.092
where: short stacking energy: -63.648
Base-Backbone interact. energy: 0.302
local terms energy: -70.537460
where:
bonds (distance) C4'-P energy: -16.610
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -13.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -220.499846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.499846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.499846 (E_RNA)
where:
Base-Base interactions energy: -144.622
where: short stacking energy: -66.333
Base-Backbone interact. energy: -0.021
local terms energy: -75.857178
where:
bonds (distance) C4'-P energy: -14.718
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -10.456
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: 5, replica: 2
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -183.714448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.714448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.714448 (E_RNA)
where:
Base-Base interactions energy: -112.642
where: short stacking energy: -62.455
Base-Backbone interact. energy: -0.116
local terms energy: -70.955879
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -16.615
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: -15.144
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: 3
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -125.935717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.935717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.935717 (E_RNA)
where:
Base-Base interactions energy: -73.422
where: short stacking energy: -42.486
Base-Backbone interact. energy: -0.373
local terms energy: -52.140578
where:
bonds (distance) C4'-P energy: -10.187
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -17.484
flat angles P-C4'-P energy: -7.493
tors. eta vs tors. theta energy: -4.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -93.365103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.365103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.365103 (E_RNA)
where:
Base-Base interactions energy: -41.179
where: short stacking energy: -35.669
Base-Backbone interact. energy: 0.087
local terms energy: -52.273479
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -9.058
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -4.035
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: 265
Temperature: 1.250000
Total energy: -89.246439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.246439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.246439 (E_RNA)
where:
Base-Base interactions energy: -42.234
where: short stacking energy: -19.574
Base-Backbone interact. energy: -0.780
local terms energy: -46.232784
where:
bonds (distance) C4'-P energy: -12.688
bonds (distance) P-C4' energy: -9.675
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -1.845
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: 9
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -91.025467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.025467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.025467 (E_RNA)
where:
Base-Base interactions energy: -39.598
where: short stacking energy: -37.910
Base-Backbone interact. energy: -0.599
local terms energy: -50.828089
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -8.346
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: -8.649
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: 6
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -81.303793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.303793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.303793 (E_RNA)
where:
Base-Base interactions energy: -29.887
where: short stacking energy: -27.680
Base-Backbone interact. energy: -0.219
local terms energy: -51.197685
where:
bonds (distance) C4'-P energy: -11.850
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -1.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -233.183972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.183972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.183972 (E_RNA)
where:
Base-Base interactions energy: -152.306
where: short stacking energy: -78.948
Base-Backbone interact. energy: -0.014
local terms energy: -80.864355
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -13.577
flat angles C4'-P-C4' energy: -17.547
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -23.027
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: 7
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -210.473820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.473820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.473820 (E_RNA)
where:
Base-Base interactions energy: -138.599
where: short stacking energy: -56.583
Base-Backbone interact. energy: -0.009
local terms energy: -71.865255
where:
bonds (distance) C4'-P energy: -15.077
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -12.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -221.585005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.585005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.585005 (E_RNA)
where:
Base-Base interactions energy: -136.420
where: short stacking energy: -66.999
Base-Backbone interact. energy: -0.096
local terms energy: -85.069282
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -17.671
flat angles P-C4'-P energy: -13.777
tors. eta vs tors. theta energy: -18.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -219.219997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.219997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.219997 (E_RNA)
where:
Base-Base interactions energy: -146.620
where: short stacking energy: -65.410
Base-Backbone interact. energy: -0.069
local terms energy: -72.530818
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -14.146
flat angles P-C4'-P energy: -12.183
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: 2
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -174.834528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.834528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.834528 (E_RNA)
where:
Base-Base interactions energy: -112.519
where: short stacking energy: -44.310
Base-Backbone interact. energy: -0.631
local terms energy: -61.684762
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -14.619
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -7.029
tors. eta vs tors. theta energy: -11.619
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: 6, replica: 3
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -132.308629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.308629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.308629 (E_RNA)
where:
Base-Base interactions energy: -73.933
where: short stacking energy: -36.634
Base-Backbone interact. energy: -0.480
local terms energy: -57.895333
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -11.850
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -7.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -115.463186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.463186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.463186 (E_RNA)
where:
Base-Base interactions energy: -60.814
where: short stacking energy: -35.278
Base-Backbone interact. energy: -0.026
local terms energy: -54.623139
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -18.004
flat angles C4'-P-C4' energy: -11.347
flat angles P-C4'-P energy: -4.642
tors. eta vs tors. theta energy: -5.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -89.622328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.622328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.622328 (E_RNA)
where:
Base-Base interactions energy: -37.940
where: short stacking energy: -25.181
Base-Backbone interact. energy: -0.042
local terms energy: -51.640273
where:
bonds (distance) C4'-P energy: -12.182
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -7.259
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: 6
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -82.960032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.960032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.960032 (E_RNA)
where:
Base-Base interactions energy: -37.776
where: short stacking energy: -28.010
Base-Backbone interact. energy: 0.349
local terms energy: -45.532553
where:
bonds (distance) C4'-P energy: -9.851
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -8.877
tors. eta vs tors. theta energy: 2.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -82.214853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.214853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.214853 (E_RNA)
where:
Base-Base interactions energy: -38.165
where: short stacking energy: -38.165
Base-Backbone interact. energy: -0.108
local terms energy: -43.941892
where:
bonds (distance) C4'-P energy: -10.152
bonds (distance) P-C4' energy: -9.914
flat angles C4'-P-C4' energy: -8.580
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: -6.672
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: 1, replica: 5
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -228.285061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.285061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.285061 (E_RNA)
where:
Base-Base interactions energy: -145.887
where: short stacking energy: -67.561
Base-Backbone interact. energy: -0.001
local terms energy: -82.396816
where:
bonds (distance) C4'-P energy: -16.045
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -16.369
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -22.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -226.136058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.136058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.136058 (E_RNA)
where:
Base-Base interactions energy: -156.211
where: short stacking energy: -77.930
Base-Backbone interact. energy: -0.212
local terms energy: -69.713487
where:
bonds (distance) C4'-P energy: -8.911
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -11.757
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: 7
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -201.908020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.908020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.908020 (E_RNA)
where:
Base-Base interactions energy: -135.958
where: short stacking energy: -53.843
Base-Backbone interact. energy: -0.282
local terms energy: -65.667963
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -8.481
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: 4, replica: 1
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -218.705020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.705020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.705020 (E_RNA)
where:
Base-Base interactions energy: -149.117
where: short stacking energy: -66.841
Base-Backbone interact. energy: -0.007
local terms energy: -69.581035
where:
bonds (distance) C4'-P energy: -10.384
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -20.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -175.405175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.405175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.405175 (E_RNA)
where:
Base-Base interactions energy: -111.737
where: short stacking energy: -49.651
Base-Backbone interact. energy: -0.817
local terms energy: -62.851136
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -8.685
tors. eta vs tors. theta energy: -8.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -130.456326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.456326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.456326 (E_RNA)
where:
Base-Base interactions energy: -77.172
where: short stacking energy: -35.109
Base-Backbone interact. energy: -0.107
local terms energy: -53.177084
where:
bonds (distance) C4'-P energy: -12.974
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -12.208
flat angles P-C4'-P energy: -2.847
tors. eta vs tors. theta energy: -8.706
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: 3
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -143.236573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.236573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.236573 (E_RNA)
where:
Base-Base interactions energy: -84.090
where: short stacking energy: -50.073
Base-Backbone interact. energy: -0.154
local terms energy: -58.992206
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -11.747
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -11.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -102.271984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.271984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.271984 (E_RNA)
where:
Base-Base interactions energy: -58.163
where: short stacking energy: -36.633
Base-Backbone interact. energy: 0.535
local terms energy: -44.643857
where:
bonds (distance) C4'-P energy: -11.524
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -6.630
flat angles P-C4'-P energy: -9.667
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: 9, replica: 10
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -95.039185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.039185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.039185 (E_RNA)
where:
Base-Base interactions energy: -48.678
where: short stacking energy: -29.663
Base-Backbone interact. energy: -1.399
local terms energy: -44.961880
where:
bonds (distance) C4'-P energy: -10.173
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -11.947
flat angles P-C4'-P energy: -7.993
tors. eta vs tors. theta energy: -0.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -69.313297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.313297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.313297 (E_RNA)
where:
Base-Base interactions energy: -20.570
where: short stacking energy: -12.575
Base-Backbone interact. energy: -0.188
local terms energy: -48.555060
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -5.891
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: 1, replica: 8
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -232.054027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.054027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.054027 (E_RNA)
where:
Base-Base interactions energy: -153.212
where: short stacking energy: -80.726
Base-Backbone interact. energy: -0.295
local terms energy: -78.546465
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -17.166
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -20.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -222.244498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.244498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.244498 (E_RNA)
where:
Base-Base interactions energy: -153.298
where: short stacking energy: -66.478
Base-Backbone interact. energy: -0.003
local terms energy: -68.943808
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -10.231
tors. eta vs tors. theta energy: -16.027
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: 1
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -221.243363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.243363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.243363 (E_RNA)
where:
Base-Base interactions energy: -148.622
where: short stacking energy: -69.984
Base-Backbone interact. energy: -0.012
local terms energy: -72.609277
where:
bonds (distance) C4'-P energy: -13.506
bonds (distance) P-C4' energy: -14.133
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -20.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -195.011745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.011745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.011745 (E_RNA)
where:
Base-Base interactions energy: -135.172
where: short stacking energy: -51.873
Base-Backbone interact. energy: -0.114
local terms energy: -59.726138
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -4.291
tors. eta vs tors. theta energy: -10.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -177.596402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.596402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.596402 (E_RNA)
where:
Base-Base interactions energy: -109.539
where: short stacking energy: -48.926
Base-Backbone interact. energy: -0.145
local terms energy: -67.912272
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -16.027
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: 4
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -160.212083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.212083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.212083 (E_RNA)
where:
Base-Base interactions energy: -98.156
where: short stacking energy: -48.836
Base-Backbone interact. energy: 3.460
local terms energy: -65.516094
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -6.472
tors. eta vs tors. theta energy: -10.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -145.771106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.771106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.771106 (E_RNA)
where:
Base-Base interactions energy: -91.297
where: short stacking energy: -42.150
Base-Backbone interact. energy: -1.591
local terms energy: -52.883608
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -12.134
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -6.671
tors. eta vs tors. theta energy: -5.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -147.961185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.961185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.961185 (E_RNA)
where:
Base-Base interactions energy: -85.755
where: short stacking energy: -48.393
Base-Backbone interact. energy: -0.046
local terms energy: -62.160034
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -12.754
flat angles P-C4'-P energy: -13.733
tors. eta vs tors. theta energy: -8.764
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: 9, replica: 9
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -85.633417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.633417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.633417 (E_RNA)
where:
Base-Base interactions energy: -37.317
where: short stacking energy: -37.317
Base-Backbone interact. energy: -0.023
local terms energy: -48.293304
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -9.247
flat angles P-C4'-P energy: -7.283
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: 10, replica: 10
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -86.870994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.870994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.870994 (E_RNA)
where:
Base-Base interactions energy: -37.355
where: short stacking energy: -34.197
Base-Backbone interact. energy: 0.480
local terms energy: -49.996386
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -12.882
flat angles C4'-P-C4' energy: -10.860
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: -4.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -232.024122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.024122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.024122 (E_RNA)
where:
Base-Base interactions energy: -156.037
where: short stacking energy: -79.079
Base-Backbone interact. energy: -0.006
local terms energy: -75.981336
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -10.136
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -13.224
tors. eta vs tors. theta energy: -20.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -226.831482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.831482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.831482 (E_RNA)
where:
Base-Base interactions energy: -145.318
where: short stacking energy: -76.364
Base-Backbone interact. energy: -0.830
local terms energy: -80.684087
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -10.836
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: 3, replica: 5
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -215.884547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.884547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.884547 (E_RNA)
where:
Base-Base interactions energy: -142.480
where: short stacking energy: -66.726
Base-Backbone interact. energy: -0.064
local terms energy: -73.340692
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -18.212
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -16.711
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: 2
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -199.549406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.549406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.549406 (E_RNA)
where:
Base-Base interactions energy: -126.159
where: short stacking energy: -63.790
Base-Backbone interact. energy: -0.003
local terms energy: -73.387882
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: -20.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -187.937059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.937059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.937059 (E_RNA)
where:
Base-Base interactions energy: -117.348
where: short stacking energy: -53.572
Base-Backbone interact. energy: -0.002
local terms energy: -70.586743
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -18.616
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -13.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -163.165953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.165953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.165953 (E_RNA)
where:
Base-Base interactions energy: -110.005
where: short stacking energy: -46.308
Base-Backbone interact. energy: -0.679
local terms energy: -52.481405
where:
bonds (distance) C4'-P energy: -11.611
bonds (distance) P-C4' energy: -10.318
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -7.581
tors. eta vs tors. theta energy: -8.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -125.388370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.388370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.388370 (E_RNA)
where:
Base-Base interactions energy: -73.486
where: short stacking energy: -35.058
Base-Backbone interact. energy: 0.404
local terms energy: -52.307015
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -7.055
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: 8, replica: 6
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -131.189597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.189597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.189597 (E_RNA)
where:
Base-Base interactions energy: -80.625
where: short stacking energy: -41.068
Base-Backbone interact. energy: -0.255
local terms energy: -50.308665
where:
bonds (distance) C4'-P energy: -11.747
bonds (distance) P-C4' energy: -12.972
flat angles C4'-P-C4' energy: -11.400
flat angles P-C4'-P energy: -5.600
tors. eta vs tors. theta energy: -8.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -82.445649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.445649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.445649 (E_RNA)
where:
Base-Base interactions energy: -32.380
where: short stacking energy: -31.818
Base-Backbone interact. energy: -0.058
local terms energy: -50.007876
where:
bonds (distance) C4'-P energy: -11.258
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -12.099
flat angles P-C4'-P energy: -5.718
tors. eta vs tors. theta energy: -5.118
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: 10
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -78.898998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.898998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.898998 (E_RNA)
where:
Base-Base interactions energy: -40.612
where: short stacking energy: -29.081
Base-Backbone interact. energy: -0.311
local terms energy: -37.975950
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -10.359
flat angles C4'-P-C4' energy: -10.682
flat angles P-C4'-P energy: -2.743
tors. eta vs tors. theta energy: -0.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -222.103133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.103133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.103133 (E_RNA)
where:
Base-Base interactions energy: -145.072
where: short stacking energy: -68.564
Base-Backbone interact. energy: -0.020
local terms energy: -77.011942
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -12.877
tors. eta vs tors. theta energy: -19.504
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: 8
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -225.280897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.280897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.280897 (E_RNA)
where:
Base-Base interactions energy: -151.816
where: short stacking energy: -74.947
Base-Backbone interact. energy: -0.587
local terms energy: -72.878172
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -12.481
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -12.399
tors. eta vs tors. theta energy: -21.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -223.017981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.017981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.017981 (E_RNA)
where:
Base-Base interactions energy: -143.920
where: short stacking energy: -69.618
Base-Backbone interact. energy: -0.412
local terms energy: -78.685297
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -16.155
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -11.354
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: 4, replica: 2
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -194.168391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.168391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.168391 (E_RNA)
where:
Base-Base interactions energy: -127.761
where: short stacking energy: -57.017
Base-Backbone interact. energy: -0.105
local terms energy: -66.302605
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -3.850
tors. eta vs tors. theta energy: -15.212
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: 4
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -149.248712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.248712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.248712 (E_RNA)
where:
Base-Base interactions energy: -98.989
where: short stacking energy: -36.856
Base-Backbone interact. energy: -0.646
local terms energy: -49.614030
where:
bonds (distance) C4'-P energy: -9.403
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -5.495
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: 6, replica: 7
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -183.761413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.761413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.761413 (E_RNA)
where:
Base-Base interactions energy: -121.411
where: short stacking energy: -60.508
Base-Backbone interact. energy: -0.099
local terms energy: -62.251217
where:
bonds (distance) C4'-P energy: -10.454
bonds (distance) P-C4' energy: -8.517
flat angles C4'-P-C4' energy: -16.106
flat angles P-C4'-P energy: -10.360
tors. eta vs tors. theta energy: -16.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -97.062716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.062716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.062716 (E_RNA)
where:
Base-Base interactions energy: -40.146
where: short stacking energy: -32.321
Base-Backbone interact. energy: 2.087
local terms energy: -59.003790
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -4.183
tors. eta vs tors. theta energy: -7.832
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: 3
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -123.357459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.357459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.357459 (E_RNA)
where:
Base-Base interactions energy: -63.109
where: short stacking energy: -31.460
Base-Backbone interact. energy: -1.323
local terms energy: -58.924911
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -10.676
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -5.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -82.826497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.826497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.826497 (E_RNA)
where:
Base-Base interactions energy: -35.026
where: short stacking energy: -30.557
Base-Backbone interact. energy: -0.020
local terms energy: -47.779532
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -13.357
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -2.274
tors. eta vs tors. theta energy: -1.451
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: 270
Temperature: 1.350000
Total energy: -72.792569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.792569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.792569 (E_RNA)
where:
Base-Base interactions energy: -21.232
where: short stacking energy: -18.291
Base-Backbone interact. energy: -0.079
local terms energy: -51.481155
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -7.835
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -1.418
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: 1
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -228.861826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.861826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.861826 (E_RNA)
where:
Base-Base interactions energy: -146.624
where: short stacking energy: -67.935
Base-Backbone interact. energy: -0.532
local terms energy: -81.706067
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: -21.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -227.654408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.654408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.654408 (E_RNA)
where:
Base-Base interactions energy: -145.573
where: short stacking energy: -72.537
Base-Backbone interact. energy: -0.005
local terms energy: -82.075870
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -11.817
tors. eta vs tors. theta energy: -21.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -229.327995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.327995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.327995 (E_RNA)
where:
Base-Base interactions energy: -149.982
where: short stacking energy: -74.957
Base-Backbone interact. energy: -0.002
local terms energy: -79.344090
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -16.735
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -11.070
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: 4, replica: 2
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -200.016086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.016086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.016086 (E_RNA)
where:
Base-Base interactions energy: -132.322
where: short stacking energy: -67.907
Base-Backbone interact. energy: -0.004
local terms energy: -67.690305
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -12.020
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -17.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -179.597887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.597887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.597887 (E_RNA)
where:
Base-Base interactions energy: -115.493
where: short stacking energy: -45.759
Base-Backbone interact. energy: -0.477
local terms energy: -63.627856
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -13.302
flat angles C4'-P-C4' energy: -16.603
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -9.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -184.773091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.773091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.773091 (E_RNA)
where:
Base-Base interactions energy: -120.116
where: short stacking energy: -63.180
Base-Backbone interact. energy: -0.002
local terms energy: -64.654247
where:
bonds (distance) C4'-P energy: -11.692
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -7.899
tors. eta vs tors. theta energy: -13.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -112.060597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.060597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.060597 (E_RNA)
where:
Base-Base interactions energy: -55.985
where: short stacking energy: -47.297
Base-Backbone interact. energy: -0.456
local terms energy: -55.619560
where:
bonds (distance) C4'-P energy: -9.565
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -7.488
tors. eta vs tors. theta energy: -10.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -80.583842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.583842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.583842 (E_RNA)
where:
Base-Base interactions energy: -37.765
where: short stacking energy: -29.410
Base-Backbone interact. energy: -0.048
local terms energy: -42.770229
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -2.864
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: 271
Temperature: 1.300000
Total energy: -81.448292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.448292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.448292 (E_RNA)
where:
Base-Base interactions energy: -27.855
where: short stacking energy: -13.933
Base-Backbone interact. energy: -0.241
local terms energy: -53.352462
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -7.056
tors. eta vs tors. theta energy: -1.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -73.653457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.653457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.653457 (E_RNA)
where:
Base-Base interactions energy: -31.203
where: short stacking energy: -31.045
Base-Backbone interact. energy: -0.172
local terms energy: -42.277942
where:
bonds (distance) C4'-P energy: -11.285
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -10.041
flat angles P-C4'-P energy: -5.650
tors. eta vs tors. theta energy: -3.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -232.278771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.278771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.278771 (E_RNA)
where:
Base-Base interactions energy: -152.711
where: short stacking energy: -71.292
Base-Backbone interact. energy: -0.040
local terms energy: -79.527204
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -18.272
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: -20.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -228.223888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.223888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.223888 (E_RNA)
where:
Base-Base interactions energy: -154.986
where: short stacking energy: -70.187
Base-Backbone interact. energy: -0.413
local terms energy: -72.825165
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -9.160
flat angles C4'-P-C4' energy: -17.397
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -21.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -194.973513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.973513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.973513 (E_RNA)
where:
Base-Base interactions energy: -124.349
where: short stacking energy: -47.300
Base-Backbone interact. energy: -1.033
local terms energy: -69.592001
where:
bonds (distance) C4'-P energy: -18.048
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -6.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -215.045227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.045227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.045227 (E_RNA)
where:
Base-Base interactions energy: -142.344
where: short stacking energy: -65.156
Base-Backbone interact. energy: -0.004
local terms energy: -72.696994
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -10.308
flat angles C4'-P-C4' energy: -17.862
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -18.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -197.630646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.630646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.630646 (E_RNA)
where:
Base-Base interactions energy: -130.034
where: short stacking energy: -58.997
Base-Backbone interact. energy: -0.682
local terms energy: -66.914780
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -14.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -172.828149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.828149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.828149 (E_RNA)
where:
Base-Base interactions energy: -109.891
where: short stacking energy: -48.581
Base-Backbone interact. energy: -0.159
local terms energy: -62.778309
where:
bonds (distance) C4'-P energy: -9.985
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: -14.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -104.617773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.617773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.617773 (E_RNA)
where:
Base-Base interactions energy: -52.502
where: short stacking energy: -40.337
Base-Backbone interact. energy: 2.345
local terms energy: -54.460334
where:
bonds (distance) C4'-P energy: -9.197
bonds (distance) P-C4' energy: -17.098
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -5.214
tors. eta vs tors. theta energy: -7.950
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: 9
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -89.903560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.903560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.903560 (E_RNA)
where:
Base-Base interactions energy: -36.068
where: short stacking energy: -24.370
Base-Backbone interact. energy: -0.240
local terms energy: -53.595719
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -13.159
flat angles C4'-P-C4' energy: -10.273
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -5.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -85.377259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.377259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.377259 (E_RNA)
where:
Base-Base interactions energy: -31.759
where: short stacking energy: -24.362
Base-Backbone interact. energy: -0.134
local terms energy: -53.484218
where:
bonds (distance) C4'-P energy: -12.080
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -0.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -89.161763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.161763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.161763 (E_RNA)
where:
Base-Base interactions energy: -36.881
where: short stacking energy: -14.450
Base-Backbone interact. energy: -0.306
local terms energy: -51.975299
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -11.941
flat angles C4'-P-C4' energy: -13.150
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -1.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -223.728847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.728847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.728847 (E_RNA)
where:
Base-Base interactions energy: -144.106
where: short stacking energy: -76.081
Base-Backbone interact. energy: -0.001
local terms energy: -79.622592
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -21.560
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: 2
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -191.530176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.530176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.530176 (E_RNA)
where:
Base-Base interactions energy: -127.552
where: short stacking energy: -60.707
Base-Backbone interact. energy: -0.040
local terms energy: -63.938889
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -8.605
tors. eta vs tors. theta energy: -14.257
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: 1
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -225.375035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.375035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.375035 (E_RNA)
where:
Base-Base interactions energy: -152.177
where: short stacking energy: -69.005
Base-Backbone interact. energy: -0.055
local terms energy: -73.143130
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -11.175
tors. eta vs tors. theta energy: -17.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -212.773125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.773125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.773125 (E_RNA)
where:
Base-Base interactions energy: -141.794
where: short stacking energy: -58.561
Base-Backbone interact. energy: 1.812
local terms energy: -72.790918
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -13.645
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -17.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -194.617273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.617273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.617273 (E_RNA)
where:
Base-Base interactions energy: -125.943
where: short stacking energy: -57.940
Base-Backbone interact. energy: 0.216
local terms energy: -68.890134
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: -17.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -183.418381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.418381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.418381 (E_RNA)
where:
Base-Base interactions energy: -113.429
where: short stacking energy: -50.239
Base-Backbone interact. energy: -0.005
local terms energy: -69.984164
where:
bonds (distance) C4'-P energy: -16.167
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -5.680
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: 7, replica: 6
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -107.316986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.316986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.316986 (E_RNA)
where:
Base-Base interactions energy: -53.821
where: short stacking energy: -26.458
Base-Backbone interact. energy: -0.232
local terms energy: -53.263588
where:
bonds (distance) C4'-P energy: -15.209
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -9.546
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -3.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -90.486187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.486187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.486187 (E_RNA)
where:
Base-Base interactions energy: -34.179
where: short stacking energy: -30.201
Base-Backbone interact. energy: -0.070
local terms energy: -56.237937
where:
bonds (distance) C4'-P energy: -9.476
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -10.987
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -7.419
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: 9, replica: 9
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -95.504609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.504609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.504609 (E_RNA)
where:
Base-Base interactions energy: -34.865
where: short stacking energy: -24.574
Base-Backbone interact. energy: -0.483
local terms energy: -60.156247
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -17.387
flat angles P-C4'-P energy: -5.117
tors. eta vs tors. theta energy: -6.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -80.910725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.910725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.910725 (E_RNA)
where:
Base-Base interactions energy: -27.658
where: short stacking energy: -23.276
Base-Backbone interact. energy: 2.077
local terms energy: -55.329455
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -12.739
flat angles P-C4'-P energy: -12.775
tors. eta vs tors. theta energy: -0.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -221.812680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.812680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.812680 (E_RNA)
where:
Base-Base interactions energy: -149.718
where: short stacking energy: -73.413
Base-Backbone interact. energy: -0.063
local terms energy: -72.032120
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -17.408
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -7.183
tors. eta vs tors. theta energy: -20.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -200.789754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.789754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.789754 (E_RNA)
where:
Base-Base interactions energy: -128.571
where: short stacking energy: -68.618
Base-Backbone interact. energy: -0.403
local terms energy: -71.815707
where:
bonds (distance) C4'-P energy: -14.797
bonds (distance) P-C4' energy: -14.767
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -6.357
tors. eta vs tors. theta energy: -18.712
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: 1
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -221.636605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.636605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.636605 (E_RNA)
where:
Base-Base interactions energy: -143.264
where: short stacking energy: -69.925
Base-Backbone interact. energy: -0.003
local terms energy: -78.369576
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -17.548
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: -20.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -215.283269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.283269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.283269 (E_RNA)
where:
Base-Base interactions energy: -141.670
where: short stacking energy: -68.409
Base-Backbone interact. energy: -0.132
local terms energy: -73.480578
where:
bonds (distance) C4'-P energy: -13.347
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -20.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -181.881349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.881349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.881349 (E_RNA)
where:
Base-Base interactions energy: -124.994
where: short stacking energy: -54.660
Base-Backbone interact. energy: -0.055
local terms energy: -56.832041
where:
bonds (distance) C4'-P energy: -9.575
bonds (distance) P-C4' energy: -12.270
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -7.029
tors. eta vs tors. theta energy: -12.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -194.837668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.837668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.837668 (E_RNA)
where:
Base-Base interactions energy: -125.153
where: short stacking energy: -57.809
Base-Backbone interact. energy: -0.004
local terms energy: -69.680579
where:
bonds (distance) C4'-P energy: -11.494
bonds (distance) P-C4' energy: -17.642
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -7.475
tors. eta vs tors. theta energy: -18.651
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: 274
Temperature: 1.200000
Total energy: -90.800731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.800731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.800731 (E_RNA)
where:
Base-Base interactions energy: -32.988
where: short stacking energy: -32.988
Base-Backbone interact. energy: -0.106
local terms energy: -57.707361
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -5.353
tors. eta vs tors. theta energy: -9.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -102.003223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.003223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.003223 (E_RNA)
where:
Base-Base interactions energy: -60.676
where: short stacking energy: -26.794
Base-Backbone interact. energy: -0.409
local terms energy: -40.918225
where:
bonds (distance) C4'-P energy: -8.026
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -9.458
flat angles P-C4'-P energy: -5.898
tors. eta vs tors. theta energy: -2.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -81.558297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.558297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.558297 (E_RNA)
where:
Base-Base interactions energy: -32.063
where: short stacking energy: -31.669
Base-Backbone interact. energy: -0.068
local terms energy: -49.427445
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -10.567
flat angles P-C4'-P energy: -8.238
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: 10, replica: 9
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -82.399756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.399756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.399756 (E_RNA)
where:
Base-Base interactions energy: -35.083
where: short stacking energy: -19.517
Base-Backbone interact. energy: -0.223
local terms energy: -47.093086
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -12.010
flat angles P-C4'-P energy: -5.112
tors. eta vs tors. theta energy: 0.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -223.838357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.838357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.838357 (E_RNA)
where:
Base-Base interactions energy: -151.862
where: short stacking energy: -71.892
Base-Backbone interact. energy: -0.004
local terms energy: -71.972114
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -18.831
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: 1
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -232.714020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.714020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.714020 (E_RNA)
where:
Base-Base interactions energy: -156.789
where: short stacking energy: -78.309
Base-Backbone interact. energy: -0.633
local terms energy: -75.292734
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -13.164
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -11.075
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: 3, replica: 2
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -199.128672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.128672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.128672 (E_RNA)
where:
Base-Base interactions energy: -137.399
where: short stacking energy: -50.338
Base-Backbone interact. energy: -0.477
local terms energy: -61.252980
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -7.296
tors. eta vs tors. theta energy: -8.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -211.700959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.700959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.700959 (E_RNA)
where:
Base-Base interactions energy: -139.475
where: short stacking energy: -68.167
Base-Backbone interact. energy: -0.006
local terms energy: -72.220014
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -10.977
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: 5, replica: 7
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -170.233739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.233739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.233739 (E_RNA)
where:
Base-Base interactions energy: -113.529
where: short stacking energy: -51.670
Base-Backbone interact. energy: 0.494
local terms energy: -57.198822
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -12.290
flat angles P-C4'-P energy: -8.945
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: 6, replica: 4
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -181.140403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.140403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.140403 (E_RNA)
where:
Base-Base interactions energy: -119.222
where: short stacking energy: -53.752
Base-Backbone interact. energy: -0.160
local terms energy: -61.758975
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -11.968
flat angles P-C4'-P energy: -11.276
tors. eta vs tors. theta energy: -11.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -92.626355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.626355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.626355 (E_RNA)
where:
Base-Base interactions energy: -37.240
where: short stacking energy: -30.401
Base-Backbone interact. energy: -0.233
local terms energy: -55.152965
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -11.541
flat angles C4'-P-C4' energy: -10.846
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -5.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -83.879995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.879995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.879995 (E_RNA)
where:
Base-Base interactions energy: -24.684
where: short stacking energy: -24.684
Base-Backbone interact. energy: -0.038
local terms energy: -59.157600
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -11.715
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -4.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -81.301223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.301223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.301223 (E_RNA)
where:
Base-Base interactions energy: -31.218
where: short stacking energy: -21.384
Base-Backbone interact. energy: -0.627
local terms energy: -49.456607
where:
bonds (distance) C4'-P energy: -10.910
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -12.692
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -0.672
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: 275
Temperature: 1.350000
Total energy: -85.220554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.220554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.220554 (E_RNA)
where:
Base-Base interactions energy: -47.233
where: short stacking energy: -26.569
Base-Backbone interact. energy: -0.119
local terms energy: -37.868495
where:
bonds (distance) C4'-P energy: -8.874
bonds (distance) P-C4' energy: -11.272
flat angles C4'-P-C4' energy: -11.848
flat angles P-C4'-P energy: -5.381
tors. eta vs tors. theta energy: -0.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -229.465523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.465523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.465523 (E_RNA)
where:
Base-Base interactions energy: -148.531
where: short stacking energy: -70.747
Base-Backbone interact. energy: 0.465
local terms energy: -81.399291
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -16.933
flat angles P-C4'-P energy: -13.252
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: 2, replica: 5
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -226.750959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.750959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.750959 (E_RNA)
where:
Base-Base interactions energy: -150.977
where: short stacking energy: -68.815
Base-Backbone interact. energy: -0.035
local terms energy: -75.738771
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -20.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -198.506919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.506919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.506919 (E_RNA)
where:
Base-Base interactions energy: -122.792
where: short stacking energy: -57.965
Base-Backbone interact. energy: -0.000
local terms energy: -75.714911
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -15.836
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: -16.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -204.837602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.837602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.837602 (E_RNA)
where:
Base-Base interactions energy: -132.967
where: short stacking energy: -60.748
Base-Backbone interact. energy: -1.166
local terms energy: -70.704610
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -12.336
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -17.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -188.831621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.831621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.831621 (E_RNA)
where:
Base-Base interactions energy: -118.251
where: short stacking energy: -60.600
Base-Backbone interact. energy: -0.024
local terms energy: -70.556340
where:
bonds (distance) C4'-P energy: -10.410
bonds (distance) P-C4' energy: -12.074
flat angles C4'-P-C4' energy: -16.765
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -22.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -193.713340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.713340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.713340 (E_RNA)
where:
Base-Base interactions energy: -129.106
where: short stacking energy: -54.636
Base-Backbone interact. energy: -1.109
local terms energy: -63.497776
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -11.761
flat angles C4'-P-C4' energy: -12.617
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -16.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -92.215679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.215679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.215679 (E_RNA)
where:
Base-Base interactions energy: -43.162
where: short stacking energy: -39.331
Base-Backbone interact. energy: -0.079
local terms energy: -48.975355
where:
bonds (distance) C4'-P energy: -9.292
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -7.856
tors. eta vs tors. theta energy: -3.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -84.183229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.183229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.183229 (E_RNA)
where:
Base-Base interactions energy: -37.853
where: short stacking energy: -25.465
Base-Backbone interact. energy: -0.136
local terms energy: -46.195098
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -15.119
flat angles C4'-P-C4' energy: -12.300
flat angles P-C4'-P energy: -5.010
tors. eta vs tors. theta energy: -1.679
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: 6
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -78.267543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.267543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.267543 (E_RNA)
where:
Base-Base interactions energy: -28.822
where: short stacking energy: -24.414
Base-Backbone interact. energy: -0.696
local terms energy: -48.749433
where:
bonds (distance) C4'-P energy: -11.076
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -5.557
tors. eta vs tors. theta energy: -2.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -86.396347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.396347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.396347 (E_RNA)
where:
Base-Base interactions energy: -32.579
where: short stacking energy: -28.514
Base-Backbone interact. energy: -0.126
local terms energy: -53.690732
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -9.906
tors. eta vs tors. theta energy: -2.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -232.266935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.266935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.266935 (E_RNA)
where:
Base-Base interactions energy: -152.650
where: short stacking energy: -72.131
Base-Backbone interact. energy: -0.012
local terms energy: -79.604814
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -20.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -223.576839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.576839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.576839 (E_RNA)
where:
Base-Base interactions energy: -145.365
where: short stacking energy: -65.863
Base-Backbone interact. energy: -0.907
local terms energy: -77.304896
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -10.640
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: 3, replica: 8
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -221.713190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.713190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.713190 (E_RNA)
where:
Base-Base interactions energy: -143.924
where: short stacking energy: -71.308
Base-Backbone interact. energy: -0.283
local terms energy: -77.506665
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -18.775
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -19.970
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: 4, replica: 2
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -213.413575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.413575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.413575 (E_RNA)
where:
Base-Base interactions energy: -146.740
where: short stacking energy: -66.783
Base-Backbone interact. energy: -0.505
local terms energy: -66.168588
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -9.151
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -7.540
tors. eta vs tors. theta energy: -17.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -201.655174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.655174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.655174 (E_RNA)
where:
Base-Base interactions energy: -136.339
where: short stacking energy: -60.270
Base-Backbone interact. energy: -0.099
local terms energy: -65.217324
where:
bonds (distance) C4'-P energy: -10.770
bonds (distance) P-C4' energy: -14.627
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -8.008
tors. eta vs tors. theta energy: -16.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -186.548828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.548828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.548828 (E_RNA)
where:
Base-Base interactions energy: -125.434
where: short stacking energy: -59.034
Base-Backbone interact. energy: -0.017
local terms energy: -61.097928
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -4.613
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: 7, replica: 3
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -101.495716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.495716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.495716 (E_RNA)
where:
Base-Base interactions energy: -39.913
where: short stacking energy: -39.913
Base-Backbone interact. energy: -0.510
local terms energy: -61.072494
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -14.687
flat angles C4'-P-C4' energy: -11.832
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -6.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -118.124353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.124353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.124353 (E_RNA)
where:
Base-Base interactions energy: -68.282
where: short stacking energy: -39.244
Base-Backbone interact. energy: 0.372
local terms energy: -50.214957
where:
bonds (distance) C4'-P energy: -11.283
bonds (distance) P-C4' energy: -10.529
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -6.944
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: 10
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -80.705689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.705689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.705689 (E_RNA)
where:
Base-Base interactions energy: -26.319
where: short stacking energy: -25.893
Base-Backbone interact. energy: -0.500
local terms energy: -53.885783
where:
bonds (distance) C4'-P energy: -9.330
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -5.469
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: 10, replica: 9
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -74.505582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.505582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.505582 (E_RNA)
where:
Base-Base interactions energy: -22.444
where: short stacking energy: -18.243
Base-Backbone interact. energy: 0.287
local terms energy: -52.348456
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -5.388
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: 5
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -229.246956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.246956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.246956 (E_RNA)
where:
Base-Base interactions energy: -149.026
where: short stacking energy: -64.933
Base-Backbone interact. energy: -0.002
local terms energy: -80.219142
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -12.371
tors. eta vs tors. theta energy: -21.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -231.641870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.641870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.641870 (E_RNA)
where:
Base-Base interactions energy: -148.996
where: short stacking energy: -69.530
Base-Backbone interact. energy: -0.610
local terms energy: -82.035462
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -17.168
flat angles P-C4'-P energy: -10.390
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: 3, replica: 8
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -227.644948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.644948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.644948 (E_RNA)
where:
Base-Base interactions energy: -153.935
where: short stacking energy: -79.714
Base-Backbone interact. energy: -0.101
local terms energy: -73.609577
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -17.943
flat angles P-C4'-P energy: -7.779
tors. eta vs tors. theta energy: -20.112
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: 2
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -198.723099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.723099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.723099 (E_RNA)
where:
Base-Base interactions energy: -132.382
where: short stacking energy: -60.350
Base-Backbone interact. energy: -0.342
local terms energy: -65.999311
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -6.252
tors. eta vs tors. theta energy: -16.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -198.069197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.069197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.069197 (E_RNA)
where:
Base-Base interactions energy: -124.143
where: short stacking energy: -69.551
Base-Backbone interact. energy: -0.016
local terms energy: -73.910828
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -17.338
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -7.154
tors. eta vs tors. theta energy: -17.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -170.766935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.766935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.766935 (E_RNA)
where:
Base-Base interactions energy: -113.402
where: short stacking energy: -48.906
Base-Backbone interact. energy: -0.241
local terms energy: -57.124459
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -10.712
flat angles P-C4'-P energy: -5.047
tors. eta vs tors. theta energy: -8.790
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: 7, replica: 6
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -132.379980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.379980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.379980 (E_RNA)
where:
Base-Base interactions energy: -77.084
where: short stacking energy: -43.628
Base-Backbone interact. energy: -0.335
local terms energy: -54.960815
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -6.302
tors. eta vs tors. theta energy: -8.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -92.759873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.759873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.759873 (E_RNA)
where:
Base-Base interactions energy: -47.017
where: short stacking energy: -30.446
Base-Backbone interact. energy: -0.125
local terms energy: -45.618136
where:
bonds (distance) C4'-P energy: -8.088
bonds (distance) P-C4' energy: -11.797
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -7.339
tors. eta vs tors. theta energy: -4.661
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: 9
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -103.635656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.635656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.635656 (E_RNA)
where:
Base-Base interactions energy: -45.927
where: short stacking energy: -36.767
Base-Backbone interact. energy: -0.235
local terms energy: -57.473225
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -11.572
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -8.511
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: 10, replica: 10
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -70.252020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.252020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.252020 (E_RNA)
where:
Base-Base interactions energy: -28.245
where: short stacking energy: -15.934
Base-Backbone interact. energy: 0.406
local terms energy: -42.412866
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -14.027
flat angles C4'-P-C4' energy: -13.352
flat angles P-C4'-P energy: -6.004
tors. eta vs tors. theta energy: 3.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -230.384657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.384657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.384657 (E_RNA)
where:
Base-Base interactions energy: -150.826
where: short stacking energy: -71.019
Base-Backbone interact. energy: -0.037
local terms energy: -79.521090
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -17.859
flat angles C4'-P-C4' energy: -16.603
flat angles P-C4'-P energy: -13.307
tors. eta vs tors. theta energy: -19.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -229.172766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.172766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.172766 (E_RNA)
where:
Base-Base interactions energy: -150.113
where: short stacking energy: -76.343
Base-Backbone interact. energy: -0.034
local terms energy: -79.026422
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -13.118
tors. eta vs tors. theta energy: -18.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -215.211490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.211490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.211490 (E_RNA)
where:
Base-Base interactions energy: -136.592
where: short stacking energy: -61.398
Base-Backbone interact. energy: -0.139
local terms energy: -78.480742
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -19.761
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: 4, replica: 4
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -206.799088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.799088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.799088 (E_RNA)
where:
Base-Base interactions energy: -134.281
where: short stacking energy: -68.840
Base-Backbone interact. energy: -0.410
local terms energy: -72.108050
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -12.977
flat angles C4'-P-C4' energy: -17.481
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -17.707
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: 5, replica: 2
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -185.278357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.278357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.278357 (E_RNA)
where:
Base-Base interactions energy: -121.314
where: short stacking energy: -64.983
Base-Backbone interact. energy: -0.135
local terms energy: -63.828752
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -7.375
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: -20.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -136.344953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.344953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.344953 (E_RNA)
where:
Base-Base interactions energy: -77.481
where: short stacking energy: -36.713
Base-Backbone interact. energy: -0.638
local terms energy: -58.226778
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -11.475
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -12.805
tors. eta vs tors. theta energy: -6.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -165.053177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.053177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.053177 (E_RNA)
where:
Base-Base interactions energy: -104.897
where: short stacking energy: -41.749
Base-Backbone interact. energy: -0.068
local terms energy: -60.088716
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -5.219
tors. eta vs tors. theta energy: -12.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -85.084825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.084825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.084825 (E_RNA)
where:
Base-Base interactions energy: -32.115
where: short stacking energy: -32.115
Base-Backbone interact. energy: -0.368
local terms energy: -52.601498
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -12.474
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -8.495
tors. eta vs tors. theta energy: -1.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -81.934951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.934951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.934951 (E_RNA)
where:
Base-Base interactions energy: -26.400
where: short stacking energy: -26.400
Base-Backbone interact. energy: -0.146
local terms energy: -55.389369
where:
bonds (distance) C4'-P energy: -10.165
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -2.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -99.154057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.154057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.154057 (E_RNA)
where:
Base-Base interactions energy: -42.654
where: short stacking energy: -34.561
Base-Backbone interact. energy: 0.848
local terms energy: -57.348642
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -12.490
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -3.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -236.546078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.546078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.546078 (E_RNA)
where:
Base-Base interactions energy: -163.396
where: short stacking energy: -76.049
Base-Backbone interact. energy: -0.041
local terms energy: -73.109239
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -6.785
tors. eta vs tors. theta energy: -20.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -221.363658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.363658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.363658 (E_RNA)
where:
Base-Base interactions energy: -150.003
where: short stacking energy: -68.529
Base-Backbone interact. energy: -0.083
local terms energy: -71.277419
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -13.956
flat angles C4'-P-C4' energy: -10.717
flat angles P-C4'-P energy: -12.711
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: 8
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -228.387566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.387566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.387566 (E_RNA)
where:
Base-Base interactions energy: -149.947
where: short stacking energy: -64.801
Base-Backbone interact. energy: -0.441
local terms energy: -77.999703
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -13.239
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: 4, replica: 4
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -202.162239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.162239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.162239 (E_RNA)
where:
Base-Base interactions energy: -130.369
where: short stacking energy: -60.230
Base-Backbone interact. energy: -0.158
local terms energy: -71.635918
where:
bonds (distance) C4'-P energy: -14.551
bonds (distance) P-C4' energy: -16.226
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -11.961
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: 5, replica: 2
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -181.433846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.433846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.433846 (E_RNA)
where:
Base-Base interactions energy: -112.372
where: short stacking energy: -56.061
Base-Backbone interact. energy: -0.002
local terms energy: -69.060480
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -12.858
flat angles C4'-P-C4' energy: -17.265
flat angles P-C4'-P energy: -10.583
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: 6, replica: 6
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -134.175206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.175206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.175206 (E_RNA)
where:
Base-Base interactions energy: -86.022
where: short stacking energy: -33.157
Base-Backbone interact. energy: -0.301
local terms energy: -47.851855
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -15.108
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -3.896
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: 7, replica: 7
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -177.730688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.730688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.730688 (E_RNA)
where:
Base-Base interactions energy: -123.769
where: short stacking energy: -54.273
Base-Backbone interact. energy: -0.019
local terms energy: -53.942912
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -13.149
flat angles P-C4'-P energy: -2.812
tors. eta vs tors. theta energy: -10.899
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: 3
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -88.162977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.162977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.162977 (E_RNA)
where:
Base-Base interactions energy: -29.544
where: short stacking energy: -25.686
Base-Backbone interact. energy: -0.645
local terms energy: -57.974269
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -18.926
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -7.349
tors. eta vs tors. theta energy: -1.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -78.316963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.316963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.316963 (E_RNA)
where:
Base-Base interactions energy: -30.416
where: short stacking energy: -19.151
Base-Backbone interact. energy: 1.494
local terms energy: -49.395034
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -11.422
flat angles C4'-P-C4' energy: -16.187
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: 1.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -79.015956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.015956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.015956 (E_RNA)
where:
Base-Base interactions energy: -34.023
where: short stacking energy: -34.023
Base-Backbone interact. energy: -0.077
local terms energy: -44.915463
where:
bonds (distance) C4'-P energy: -5.384
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -11.294
flat angles P-C4'-P energy: -9.755
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: 1
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -231.143177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.143177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.143177 (E_RNA)
where:
Base-Base interactions energy: -153.746
where: short stacking energy: -76.730
Base-Backbone interact. energy: -0.282
local terms energy: -77.115282
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -12.576
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: 2, replica: 8
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -227.731532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.731532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.731532 (E_RNA)
where:
Base-Base interactions energy: -147.737
where: short stacking energy: -74.199
Base-Backbone interact. energy: -0.846
local terms energy: -79.148576
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -10.554
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: 3, replica: 5
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -219.948198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.948198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.948198 (E_RNA)
where:
Base-Base interactions energy: -140.959
where: short stacking energy: -68.347
Base-Backbone interact. energy: -0.352
local terms energy: -78.636529
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -14.963
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -8.242
tors. eta vs tors. theta energy: -22.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -222.627154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.627154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.627154 (E_RNA)
where:
Base-Base interactions energy: -150.317
where: short stacking energy: -68.161
Base-Backbone interact. energy: -0.004
local terms energy: -72.306080
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -13.210
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -20.901
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: 281
Temperature: 1.100000
Total energy: -183.216196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.216196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.216196 (E_RNA)
where:
Base-Base interactions energy: -116.989
where: short stacking energy: -56.548
Base-Backbone interact. energy: -0.114
local terms energy: -66.112751
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -15.098
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -6.279
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: 6, replica: 7
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -180.976988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.976988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.976988 (E_RNA)
where:
Base-Base interactions energy: -118.902
where: short stacking energy: -62.343
Base-Backbone interact. energy: -0.008
local terms energy: -62.067288
where:
bonds (distance) C4'-P energy: -12.772
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -7.639
tors. eta vs tors. theta energy: -12.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -144.609411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.609411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.609411 (E_RNA)
where:
Base-Base interactions energy: -85.130
where: short stacking energy: -39.348
Base-Backbone interact. energy: -0.289
local terms energy: -59.190825
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -11.490
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -8.552
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: 10
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -84.333782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.333782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.333782 (E_RNA)
where:
Base-Base interactions energy: -37.008
where: short stacking energy: -23.895
Base-Backbone interact. energy: 1.252
local terms energy: -48.577366
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -11.082
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: 0.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -79.016575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.016575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.016575 (E_RNA)
where:
Base-Base interactions energy: -43.214
where: short stacking energy: -30.279
Base-Backbone interact. energy: 0.014
local terms energy: -35.816036
where:
bonds (distance) C4'-P energy: -11.017
bonds (distance) P-C4' energy: -9.527
flat angles C4'-P-C4' energy: -4.030
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: -3.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -78.661585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.661585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.661585 (E_RNA)
where:
Base-Base interactions energy: -27.306
where: short stacking energy: -23.075
Base-Backbone interact. energy: -0.293
local terms energy: -51.062181
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -6.921
tors. eta vs tors. theta energy: -1.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -230.053089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.053089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.053089 (E_RNA)
where:
Base-Base interactions energy: -151.841
where: short stacking energy: -76.216
Base-Backbone interact. energy: -0.030
local terms energy: -78.181449
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -15.792
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -19.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -217.825010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.825010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.825010 (E_RNA)
where:
Base-Base interactions energy: -145.956
where: short stacking energy: -69.757
Base-Backbone interact. energy: -0.037
local terms energy: -71.832089
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -13.063
flat angles P-C4'-P energy: -9.906
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: 3, replica: 4
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -216.715612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.715612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.715612 (E_RNA)
where:
Base-Base interactions energy: -145.782
where: short stacking energy: -73.828
Base-Backbone interact. energy: -0.014
local terms energy: -70.919530
where:
bonds (distance) C4'-P energy: -9.632
bonds (distance) P-C4' energy: -15.053
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -11.500
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: 5
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -208.587690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.587690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.587690 (E_RNA)
where:
Base-Base interactions energy: -134.196
where: short stacking energy: -58.171
Base-Backbone interact. energy: -0.594
local terms energy: -73.797627
where:
bonds (distance) C4'-P energy: -15.483
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -12.080
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: 282
Temperature: 1.100000
Total energy: -175.287979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.287979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.287979 (E_RNA)
where:
Base-Base interactions energy: -106.380
where: short stacking energy: -54.009
Base-Backbone interact. energy: -0.011
local terms energy: -68.896542
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -17.335
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -8.208
tors. eta vs tors. theta energy: -14.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -163.630253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.630253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.630253 (E_RNA)
where:
Base-Base interactions energy: -102.069
where: short stacking energy: -42.154
Base-Backbone interact. energy: -0.113
local terms energy: -61.448344
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -13.562
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -7.993
tors. eta vs tors. theta energy: -12.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -135.605092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.605092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.605092 (E_RNA)
where:
Base-Base interactions energy: -82.168
where: short stacking energy: -48.965
Base-Backbone interact. energy: -0.781
local terms energy: -52.655865
where:
bonds (distance) C4'-P energy: -9.248
bonds (distance) P-C4' energy: -7.914
flat angles C4'-P-C4' energy: -11.818
flat angles P-C4'-P energy: -12.290
tors. eta vs tors. theta energy: -11.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -94.362068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.362068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.362068 (E_RNA)
where:
Base-Base interactions energy: -38.837
where: short stacking energy: -34.880
Base-Backbone interact. energy: -0.119
local terms energy: -55.406375
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -12.133
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -6.316
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: 282
Temperature: 1.300000
Total energy: -98.237879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.237879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.237879 (E_RNA)
where:
Base-Base interactions energy: -46.324
where: short stacking energy: -26.597
Base-Backbone interact. energy: 2.175
local terms energy: -54.088578
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -11.130
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: 0.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -75.506568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.506568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.506568 (E_RNA)
where:
Base-Base interactions energy: -32.286
where: short stacking energy: -19.221
Base-Backbone interact. energy: -0.403
local terms energy: -42.817998
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -11.698
flat angles C4'-P-C4' energy: -10.160
flat angles P-C4'-P energy: -10.997
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: 1, replica: 1
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -228.122618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.122618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.122618 (E_RNA)
where:
Base-Base interactions energy: -150.339
where: short stacking energy: -77.180
Base-Backbone interact. energy: -0.613
local terms energy: -77.170630
where:
bonds (distance) C4'-P energy: -15.865
bonds (distance) P-C4' energy: -16.564
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -18.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -215.953398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.953398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.953398 (E_RNA)
where:
Base-Base interactions energy: -145.428
where: short stacking energy: -65.233
Base-Backbone interact. energy: -0.304
local terms energy: -70.220899
where:
bonds (distance) C4'-P energy: -14.205
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -9.919
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: 3, replica: 4
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -225.371829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.371829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.371829 (E_RNA)
where:
Base-Base interactions energy: -145.573
where: short stacking energy: -72.580
Base-Backbone interact. energy: -0.001
local terms energy: -79.798399
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -13.786
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -22.658
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: 5
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -225.282493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.282493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.282493 (E_RNA)
where:
Base-Base interactions energy: -148.874
where: short stacking energy: -75.284
Base-Backbone interact. energy: -0.281
local terms energy: -76.127131
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -17.951
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -19.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -204.603725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.603725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.603725 (E_RNA)
where:
Base-Base interactions energy: -136.730
where: short stacking energy: -69.246
Base-Backbone interact. energy: -0.170
local terms energy: -67.703686
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -6.478
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: 6, replica: 2
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -194.821622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.821622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.821622 (E_RNA)
where:
Base-Base interactions energy: -128.458
where: short stacking energy: -56.469
Base-Backbone interact. energy: -0.019
local terms energy: -66.345177
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -11.257
flat angles C4'-P-C4' energy: -16.257
flat angles P-C4'-P energy: -8.267
tors. eta vs tors. theta energy: -17.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -131.618305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.618305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.618305 (E_RNA)
where:
Base-Base interactions energy: -75.972
where: short stacking energy: -32.952
Base-Backbone interact. energy: -0.181
local terms energy: -55.465239
where:
bonds (distance) C4'-P energy: -9.947
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -13.006
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: 8, replica: 9
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -97.921602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.921602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.921602 (E_RNA)
where:
Base-Base interactions energy: -41.867
where: short stacking energy: -34.686
Base-Backbone interact. energy: -0.852
local terms energy: -55.203292
where:
bonds (distance) C4'-P energy: -12.862
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -5.845
tors. eta vs tors. theta energy: -5.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -87.767337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.767337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.767337 (E_RNA)
where:
Base-Base interactions energy: -42.005
where: short stacking energy: -29.836
Base-Backbone interact. energy: -0.172
local terms energy: -45.590926
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -6.304
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -0.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -87.349718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.349718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.349718 (E_RNA)
where:
Base-Base interactions energy: -35.163
where: short stacking energy: -35.163
Base-Backbone interact. energy: -0.002
local terms energy: -52.184843
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -12.108
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -6.907
tors. eta vs tors. theta energy: -4.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -226.551760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.551760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.551760 (E_RNA)
where:
Base-Base interactions energy: -143.677
where: short stacking energy: -69.868
Base-Backbone interact. energy: -0.561
local terms energy: -82.314024
where:
bonds (distance) C4'-P energy: -17.746
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -18.565
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -21.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -224.487630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.487630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.487630 (E_RNA)
where:
Base-Base interactions energy: -145.463
where: short stacking energy: -73.640
Base-Backbone interact. energy: -0.588
local terms energy: -78.436797
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -17.757
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: -21.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -225.893659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.893659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.893659 (E_RNA)
where:
Base-Base interactions energy: -148.856
where: short stacking energy: -64.907
Base-Backbone interact. energy: -0.048
local terms energy: -76.989303
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -15.387
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -14.270
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: 4, replica: 5
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -216.141632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.141632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.141632 (E_RNA)
where:
Base-Base interactions energy: -150.007
where: short stacking energy: -70.780
Base-Backbone interact. energy: 0.037
local terms energy: -66.171642
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -10.101
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -17.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -198.468120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.468120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.468120 (E_RNA)
where:
Base-Base interactions energy: -124.781
where: short stacking energy: -56.534
Base-Backbone interact. energy: -0.213
local terms energy: -73.473485
where:
bonds (distance) C4'-P energy: -17.343
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -11.511
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -18.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -184.441109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.441109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.441109 (E_RNA)
where:
Base-Base interactions energy: -118.229
where: short stacking energy: -47.471
Base-Backbone interact. energy: -0.103
local terms energy: -66.109213
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -14.137
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -13.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -100.661486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.661486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.661486 (E_RNA)
where:
Base-Base interactions energy: -40.896
where: short stacking energy: -40.183
Base-Backbone interact. energy: -0.243
local terms energy: -59.521753
where:
bonds (distance) C4'-P energy: -10.765
bonds (distance) P-C4' energy: -11.617
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -8.504
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: 8, replica: 6
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -128.825164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.825164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.825164 (E_RNA)
where:
Base-Base interactions energy: -70.419
where: short stacking energy: -35.101
Base-Backbone interact. energy: -0.254
local terms energy: -58.152360
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -11.866
flat angles C4'-P-C4' energy: -10.791
flat angles P-C4'-P energy: -12.738
tors. eta vs tors. theta energy: -8.128
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: 9, replica: 3
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -92.326482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.326482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.326482 (E_RNA)
where:
Base-Base interactions energy: -45.686
where: short stacking energy: -31.809
Base-Backbone interact. energy: -0.289
local terms energy: -46.351535
where:
bonds (distance) C4'-P energy: -4.531
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -9.437
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -6.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -76.849907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.849907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.849907 (E_RNA)
where:
Base-Base interactions energy: -31.205
where: short stacking energy: -31.205
Base-Backbone interact. energy: -0.114
local terms energy: -45.530326
where:
bonds (distance) C4'-P energy: -6.725
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -7.076
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -7.050
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: 8
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -229.316080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.316080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.316080 (E_RNA)
where:
Base-Base interactions energy: -147.803
where: short stacking energy: -70.199
Base-Backbone interact. energy: -0.367
local terms energy: -81.146203
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -12.873
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -12.928
tors. eta vs tors. theta energy: -22.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -221.738918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.738918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.738918 (E_RNA)
where:
Base-Base interactions energy: -146.461
where: short stacking energy: -69.406
Base-Backbone interact. energy: 1.007
local terms energy: -76.284719
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -13.401
flat angles P-C4'-P energy: -10.839
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: 285
Temperature: 1.000000
Total energy: -220.888712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.888712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.888712 (E_RNA)
where:
Base-Base interactions energy: -142.534
where: short stacking energy: -69.276
Base-Backbone interact. energy: -0.001
local terms energy: -78.353794
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -21.188
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: 5
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -217.181437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.181437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.181437 (E_RNA)
where:
Base-Base interactions energy: -139.196
where: short stacking energy: -64.738
Base-Backbone interact. energy: -0.007
local terms energy: -77.978542
where:
bonds (distance) C4'-P energy: -12.912
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -16.701
flat angles P-C4'-P energy: -9.875
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: 5, replica: 2
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -174.504115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.504115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.504115 (E_RNA)
where:
Base-Base interactions energy: -107.052
where: short stacking energy: -43.029
Base-Backbone interact. energy: -0.063
local terms energy: -67.389476
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -11.988
tors. eta vs tors. theta energy: -11.616
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: 7
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -189.780877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.780877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.780877 (E_RNA)
where:
Base-Base interactions energy: -126.621
where: short stacking energy: -55.077
Base-Backbone interact. energy: -0.740
local terms energy: -62.419825
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -11.398
flat angles C4'-P-C4' energy: -11.330
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -15.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -106.338729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.338729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.338729 (E_RNA)
where:
Base-Base interactions energy: -50.867
where: short stacking energy: -37.128
Base-Backbone interact. energy: -0.021
local terms energy: -55.450906
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -11.332
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -7.330
tors. eta vs tors. theta energy: -8.506
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: 6
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -114.393135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.393135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.393135 (E_RNA)
where:
Base-Base interactions energy: -68.295
where: short stacking energy: -23.964
Base-Backbone interact. energy: -1.072
local terms energy: -45.026167
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -11.068
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: 2.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -100.982013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.982013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.982013 (E_RNA)
where:
Base-Base interactions energy: -44.625
where: short stacking energy: -22.747
Base-Backbone interact. energy: -0.263
local terms energy: -56.093880
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -5.737
tors. eta vs tors. theta energy: -0.477
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: 10, replica: 10
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -84.144181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.144181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.144181 (E_RNA)
where:
Base-Base interactions energy: -34.789
where: short stacking energy: -32.439
Base-Backbone interact. energy: -0.090
local terms energy: -49.264302
where:
bonds (distance) C4'-P energy: -10.464
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -8.914
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -5.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -237.435956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.435956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.435956 (E_RNA)
where:
Base-Base interactions energy: -155.475
where: short stacking energy: -75.854
Base-Backbone interact. energy: -0.280
local terms energy: -81.681216
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -17.347
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -22.523
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: 4
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -224.287297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.287297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.287297 (E_RNA)
where:
Base-Base interactions energy: -148.680
where: short stacking energy: -73.333
Base-Backbone interact. energy: -0.001
local terms energy: -75.606603
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -8.104
tors. eta vs tors. theta energy: -22.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -212.005909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.005909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.005909 (E_RNA)
where:
Base-Base interactions energy: -136.023
where: short stacking energy: -59.711
Base-Backbone interact. energy: -0.004
local terms energy: -75.978482
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -17.771
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: -17.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -217.881327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.881327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.881327 (E_RNA)
where:
Base-Base interactions energy: -150.719
where: short stacking energy: -70.476
Base-Backbone interact. energy: -0.618
local terms energy: -66.544492
where:
bonds (distance) C4'-P energy: -16.223
bonds (distance) P-C4' energy: -10.367
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: -19.663
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: 7
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -190.153749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.153749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.153749 (E_RNA)
where:
Base-Base interactions energy: -129.608
where: short stacking energy: -57.476
Base-Backbone interact. energy: -0.009
local terms energy: -60.536104
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -14.189
flat angles P-C4'-P energy: -4.936
tors. eta vs tors. theta energy: -14.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -186.215036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.215036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.215036 (E_RNA)
where:
Base-Base interactions energy: -129.739
where: short stacking energy: -52.972
Base-Backbone interact. energy: 0.849
local terms energy: -57.325774
where:
bonds (distance) C4'-P energy: -8.199
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -10.092
flat angles P-C4'-P energy: -6.103
tors. eta vs tors. theta energy: -15.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -122.366303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.366303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.366303 (E_RNA)
where:
Base-Base interactions energy: -69.283
where: short stacking energy: -39.202
Base-Backbone interact. energy: -0.061
local terms energy: -53.022633
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -3.018
tors. eta vs tors. theta energy: -4.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -122.461123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.461123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.461123 (E_RNA)
where:
Base-Base interactions energy: -68.146
where: short stacking energy: -32.057
Base-Backbone interact. energy: 0.794
local terms energy: -55.109212
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -10.186
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -7.770
tors. eta vs tors. theta energy: -7.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -113.175158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.175158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.175158 (E_RNA)
where:
Base-Base interactions energy: -67.013
where: short stacking energy: -33.469
Base-Backbone interact. energy: -0.050
local terms energy: -46.112379
where:
bonds (distance) C4'-P energy: -7.201
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -12.368
flat angles P-C4'-P energy: -3.385
tors. eta vs tors. theta energy: -6.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -75.753482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.753482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.753482 (E_RNA)
where:
Base-Base interactions energy: -28.442
where: short stacking energy: -23.847
Base-Backbone interact. energy: -0.215
local terms energy: -47.095925
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -6.853
tors. eta vs tors. theta energy: 1.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -226.276387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.276387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.276387 (E_RNA)
where:
Base-Base interactions energy: -150.425
where: short stacking energy: -73.257
Base-Backbone interact. energy: -0.210
local terms energy: -75.641915
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -16.721
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -20.902
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: 2, replica: 4
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -221.469112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.469112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.469112 (E_RNA)
where:
Base-Base interactions energy: -148.831
where: short stacking energy: -61.517
Base-Backbone interact. energy: -0.277
local terms energy: -72.361198
where:
bonds (distance) C4'-P energy: -9.905
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -12.236
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: 3, replica: 5
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -225.155820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.155820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.155820 (E_RNA)
where:
Base-Base interactions energy: -147.355
where: short stacking energy: -71.136
Base-Backbone interact. energy: -0.011
local terms energy: -77.790646
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -8.906
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: 1
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -221.054413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.054413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.054413 (E_RNA)
where:
Base-Base interactions energy: -147.957
where: short stacking energy: -68.399
Base-Backbone interact. energy: -0.413
local terms energy: -72.684133
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -10.680
flat angles C4'-P-C4' energy: -17.459
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: -21.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -184.617599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.617599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.617599 (E_RNA)
where:
Base-Base interactions energy: -116.077
where: short stacking energy: -60.984
Base-Backbone interact. energy: -0.002
local terms energy: -68.538006
where:
bonds (distance) C4'-P energy: -10.381
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -12.588
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -17.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -195.665876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.665876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.665876 (E_RNA)
where:
Base-Base interactions energy: -130.894
where: short stacking energy: -61.876
Base-Backbone interact. energy: -0.095
local terms energy: -64.676943
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -11.227
flat angles C4'-P-C4' energy: -12.503
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -17.516
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: 6
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -141.727071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.727071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.727071 (E_RNA)
where:
Base-Base interactions energy: -78.287
where: short stacking energy: -40.667
Base-Backbone interact. energy: -0.003
local terms energy: -63.437777
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -12.926
flat angles P-C4'-P energy: -5.708
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: 8, replica: 3
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -98.894315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.894315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.894315 (E_RNA)
where:
Base-Base interactions energy: -53.201
where: short stacking energy: -27.490
Base-Backbone interact. energy: -0.158
local terms energy: -45.534914
where:
bonds (distance) C4'-P energy: -9.991
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -2.262
tors. eta vs tors. theta energy: -3.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -127.224749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.224749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.224749 (E_RNA)
where:
Base-Base interactions energy: -66.107
where: short stacking energy: -34.321
Base-Backbone interact. energy: -0.149
local terms energy: -60.968701
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -8.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -72.754967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.754967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.754967 (E_RNA)
where:
Base-Base interactions energy: -26.328
where: short stacking energy: -26.328
Base-Backbone interact. energy: -0.149
local terms energy: -46.277918
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -10.821
flat angles C4'-P-C4' energy: -11.931
flat angles P-C4'-P energy: -6.456
tors. eta vs tors. theta energy: -5.054
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: 4
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -224.660697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.660697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.660697 (E_RNA)
where:
Base-Base interactions energy: -146.883
where: short stacking energy: -68.490
Base-Backbone interact. energy: -0.285
local terms energy: -77.492629
where:
bonds (distance) C4'-P energy: -16.168
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -9.058
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: 2, replica: 8
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -230.159852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.159852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.159852 (E_RNA)
where:
Base-Base interactions energy: -151.966
where: short stacking energy: -72.791
Base-Backbone interact. energy: -0.652
local terms energy: -77.542629
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -21.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -226.874417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.874417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.874417 (E_RNA)
where:
Base-Base interactions energy: -150.301
where: short stacking energy: -66.511
Base-Backbone interact. energy: -1.248
local terms energy: -75.325527
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -12.361
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: 4, replica: 1
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -223.516796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.516796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.516796 (E_RNA)
where:
Base-Base interactions energy: -139.336
where: short stacking energy: -68.263
Base-Backbone interact. energy: -0.000
local terms energy: -84.180015
where:
bonds (distance) C4'-P energy: -18.218
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -18.542
flat angles P-C4'-P energy: -11.747
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: 288
Temperature: 1.100000
Total energy: -194.229352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.229352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.229352 (E_RNA)
where:
Base-Base interactions energy: -123.553
where: short stacking energy: -62.906
Base-Backbone interact. energy: 0.891
local terms energy: -71.567127
where:
bonds (distance) C4'-P energy: -11.628
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -13.105
flat angles P-C4'-P energy: -10.753
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: 6, replica: 7
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -175.253210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.253210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.253210 (E_RNA)
where:
Base-Base interactions energy: -116.685
where: short stacking energy: -52.634
Base-Backbone interact. energy: -0.208
local terms energy: -58.359846
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -10.961
flat angles C4'-P-C4' energy: -9.364
flat angles P-C4'-P energy: -11.174
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: 7, replica: 6
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -142.144947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.144947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.144947 (E_RNA)
where:
Base-Base interactions energy: -82.762
where: short stacking energy: -47.889
Base-Backbone interact. energy: -0.080
local terms energy: -59.302967
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -9.504
flat angles P-C4'-P energy: -12.098
tors. eta vs tors. theta energy: -10.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -80.825542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.825542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.825542 (E_RNA)
where:
Base-Base interactions energy: -33.197
where: short stacking energy: -29.086
Base-Backbone interact. energy: -0.379
local terms energy: -47.249315
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -6.869
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -9.290
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: 10
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -78.562869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.562869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.562869 (E_RNA)
where:
Base-Base interactions energy: -26.970
where: short stacking energy: -26.970
Base-Backbone interact. energy: -0.167
local terms energy: -51.426569
where:
bonds (distance) C4'-P energy: -12.539
bonds (distance) P-C4' energy: -17.534
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -7.596
tors. eta vs tors. theta energy: 0.158
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: 288
Temperature: 1.350000
Total energy: -80.238985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.238985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.238985 (E_RNA)
where:
Base-Base interactions energy: -33.364
where: short stacking energy: -30.346
Base-Backbone interact. energy: 1.174
local terms energy: -48.049350
where:
bonds (distance) C4'-P energy: -8.478
bonds (distance) P-C4' energy: -12.138
flat angles C4'-P-C4' energy: -14.552
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -3.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -232.443753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.443753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.443753 (E_RNA)
where:
Base-Base interactions energy: -152.447
where: short stacking energy: -73.560
Base-Backbone interact. energy: -0.413
local terms energy: -79.583995
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -9.923
tors. eta vs tors. theta energy: -22.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -227.780590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.780590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.780590 (E_RNA)
where:
Base-Base interactions energy: -151.023
where: short stacking energy: -73.127
Base-Backbone interact. energy: -0.001
local terms energy: -76.756378
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -12.668
flat angles C4'-P-C4' energy: -18.306
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -20.315
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: 8
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -219.146167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.146167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.146167 (E_RNA)
where:
Base-Base interactions energy: -142.683
where: short stacking energy: -70.963
Base-Backbone interact. energy: 0.590
local terms energy: -77.053650
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -11.888
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: 4, replica: 1
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -219.654482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.654482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.654482 (E_RNA)
where:
Base-Base interactions energy: -147.624
where: short stacking energy: -68.201
Base-Backbone interact. energy: -0.002
local terms energy: -72.028366
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -13.041
flat angles C4'-P-C4' energy: -12.277
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -24.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -187.274479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.274479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.274479 (E_RNA)
where:
Base-Base interactions energy: -125.695
where: short stacking energy: -54.885
Base-Backbone interact. energy: 0.935
local terms energy: -62.514250
where:
bonds (distance) C4'-P energy: -12.796
bonds (distance) P-C4' energy: -14.683
flat angles C4'-P-C4' energy: -17.860
flat angles P-C4'-P energy: -7.546
tors. eta vs tors. theta energy: -9.630
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: 6
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -152.896806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.896806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.896806 (E_RNA)
where:
Base-Base interactions energy: -87.488
where: short stacking energy: -52.288
Base-Backbone interact. energy: -0.066
local terms energy: -65.341963
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -15.964
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -6.405
tors. eta vs tors. theta energy: -16.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -171.975795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.975795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.975795 (E_RNA)
where:
Base-Base interactions energy: -110.829
where: short stacking energy: -53.747
Base-Backbone interact. energy: -0.044
local terms energy: -61.102626
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -6.305
tors. eta vs tors. theta energy: -10.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -82.901893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.901893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.901893 (E_RNA)
where:
Base-Base interactions energy: -33.745
where: short stacking energy: -31.946
Base-Backbone interact. energy: -0.126
local terms energy: -49.031800
where:
bonds (distance) C4'-P energy: -10.911
bonds (distance) P-C4' energy: -12.803
flat angles C4'-P-C4' energy: -8.851
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: -6.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -95.922878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.922878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.922878 (E_RNA)
where:
Base-Base interactions energy: -46.661
where: short stacking energy: -32.194
Base-Backbone interact. energy: -0.307
local terms energy: -48.955356
where:
bonds (distance) C4'-P energy: -10.798
bonds (distance) P-C4' energy: -11.674
flat angles C4'-P-C4' energy: -12.451
flat angles P-C4'-P energy: -8.610
tors. eta vs tors. theta energy: -5.422
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: 9
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -72.411915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.411915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.411915 (E_RNA)
where:
Base-Base interactions energy: -28.347
where: short stacking energy: -23.978
Base-Backbone interact. energy: 0.476
local terms energy: -44.540647
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -8.562
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: 0.970
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: 4
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -237.538036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.538036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.538036 (E_RNA)
where:
Base-Base interactions energy: -156.755
where: short stacking energy: -76.243
Base-Backbone interact. energy: -0.026
local terms energy: -80.757022
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -12.720
flat angles C4'-P-C4' energy: -17.883
flat angles P-C4'-P energy: -13.752
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: 2, replica: 5
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -226.487433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.487433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.487433 (E_RNA)
where:
Base-Base interactions energy: -146.183
where: short stacking energy: -68.221
Base-Backbone interact. energy: -0.123
local terms energy: -80.181164
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -15.412
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -21.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -216.150610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.150610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.150610 (E_RNA)
where:
Base-Base interactions energy: -145.176
where: short stacking energy: -68.540
Base-Backbone interact. energy: -0.001
local terms energy: -70.972830
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -16.721
flat angles P-C4'-P energy: -5.679
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: 4, replica: 8
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -219.852960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.852960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.852960 (E_RNA)
where:
Base-Base interactions energy: -145.909
where: short stacking energy: -69.496
Base-Backbone interact. energy: -0.001
local terms energy: -73.943831
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -8.805
tors. eta vs tors. theta energy: -19.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -201.385381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.385381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.385381 (E_RNA)
where:
Base-Base interactions energy: -128.522
where: short stacking energy: -67.527
Base-Backbone interact. energy: -0.135
local terms energy: -72.728908
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -14.537
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -6.049
tors. eta vs tors. theta energy: -22.498
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: 6, replica: 6
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -141.111793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.111793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.111793 (E_RNA)
where:
Base-Base interactions energy: -79.261
where: short stacking energy: -46.921
Base-Backbone interact. energy: -0.218
local terms energy: -61.632268
where:
bonds (distance) C4'-P energy: -16.913
bonds (distance) P-C4' energy: -10.389
flat angles C4'-P-C4' energy: -11.353
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -12.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -179.252140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.252140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.252140 (E_RNA)
where:
Base-Base interactions energy: -119.631
where: short stacking energy: -57.103
Base-Backbone interact. energy: -0.011
local terms energy: -59.610206
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -9.408
flat angles C4'-P-C4' energy: -13.450
flat angles P-C4'-P energy: -6.215
tors. eta vs tors. theta energy: -16.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -96.229702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.229702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.229702 (E_RNA)
where:
Base-Base interactions energy: -33.850
where: short stacking energy: -29.960
Base-Backbone interact. energy: -0.130
local terms energy: -62.249602
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -13.425
flat angles P-C4'-P energy: -13.796
tors. eta vs tors. theta energy: -5.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -81.723736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.723736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.723736 (E_RNA)
where:
Base-Base interactions energy: -33.599
where: short stacking energy: -33.599
Base-Backbone interact. energy: -0.028
local terms energy: -48.096515
where:
bonds (distance) C4'-P energy: -7.157
bonds (distance) P-C4' energy: -13.315
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -6.376
tors. eta vs tors. theta energy: -6.409
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: 3
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -76.420341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.420341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.420341 (E_RNA)
where:
Base-Base interactions energy: -39.000
where: short stacking energy: -29.088
Base-Backbone interact. energy: -0.277
local terms energy: -37.143598
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -10.350
flat angles C4'-P-C4' energy: -9.231
flat angles P-C4'-P energy: -2.978
tors. eta vs tors. theta energy: -1.040
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: 4
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -230.431934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.431934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.431934 (E_RNA)
where:
Base-Base interactions energy: -148.224
where: short stacking energy: -72.706
Base-Backbone interact. energy: -0.001
local terms energy: -82.207280
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -13.945
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: 2, replica: 5
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -226.420471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.420471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.420471 (E_RNA)
where:
Base-Base interactions energy: -147.561
where: short stacking energy: -64.354
Base-Backbone interact. energy: -0.061
local terms energy: -78.799019
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -19.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -228.213280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.213280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.213280 (E_RNA)
where:
Base-Base interactions energy: -155.800
where: short stacking energy: -69.542
Base-Backbone interact. energy: -0.106
local terms energy: -72.307080
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -17.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -199.645583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.645583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.645583 (E_RNA)
where:
Base-Base interactions energy: -137.208
where: short stacking energy: -61.457
Base-Backbone interact. energy: -0.120
local terms energy: -62.318233
where:
bonds (distance) C4'-P energy: -10.630
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -11.786
flat angles P-C4'-P energy: -7.409
tors. eta vs tors. theta energy: -14.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -211.097373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.097373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.097373 (E_RNA)
where:
Base-Base interactions energy: -145.769
where: short stacking energy: -67.682
Base-Backbone interact. energy: -0.174
local terms energy: -65.154748
where:
bonds (distance) C4'-P energy: -9.985
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -9.397
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: 6, replica: 7
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -183.477329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.477329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.477329 (E_RNA)
where:
Base-Base interactions energy: -118.836
where: short stacking energy: -60.795
Base-Backbone interact. energy: -0.569
local terms energy: -64.072786
where:
bonds (distance) C4'-P energy: -18.056
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -6.962
tors. eta vs tors. theta energy: -12.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -126.884690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.884690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.884690 (E_RNA)
where:
Base-Base interactions energy: -74.876
where: short stacking energy: -40.858
Base-Backbone interact. energy: 0.815
local terms energy: -52.824053
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -12.009
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: -4.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -90.242130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.242130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.242130 (E_RNA)
where:
Base-Base interactions energy: -36.771
where: short stacking energy: -36.545
Base-Backbone interact. energy: -0.213
local terms energy: -53.257944
where:
bonds (distance) C4'-P energy: -13.757
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -3.141
tors. eta vs tors. theta energy: -6.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -91.723822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.723822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.723822 (E_RNA)
where:
Base-Base interactions energy: -44.326
where: short stacking energy: -23.660
Base-Backbone interact. energy: -0.228
local terms energy: -47.169626
where:
bonds (distance) C4'-P energy: -15.866
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -8.338
flat angles P-C4'-P energy: -7.478
tors. eta vs tors. theta energy: -2.076
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: 3
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -74.862570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.862570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.862570 (E_RNA)
where:
Base-Base interactions energy: -24.493
where: short stacking energy: -17.854
Base-Backbone interact. energy: -0.096
local terms energy: -50.273208
where:
bonds (distance) C4'-P energy: -11.383
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -2.320
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: 1, replica: 4
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -224.765780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.765780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.765780 (E_RNA)
where:
Base-Base interactions energy: -148.687
where: short stacking energy: -69.310
Base-Backbone interact. energy: 0.962
local terms energy: -77.040581
where:
bonds (distance) C4'-P energy: -15.494
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -11.562
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -20.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -222.440712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.440712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.440712 (E_RNA)
where:
Base-Base interactions energy: -152.545
where: short stacking energy: -66.991
Base-Backbone interact. energy: -0.397
local terms energy: -69.498613
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: -11.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -220.998576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.998576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.998576 (E_RNA)
where:
Base-Base interactions energy: -146.501
where: short stacking energy: -70.341
Base-Backbone interact. energy: -0.000
local terms energy: -74.497738
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -21.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -197.278668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.278668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.278668 (E_RNA)
where:
Base-Base interactions energy: -121.756
where: short stacking energy: -58.750
Base-Backbone interact. energy: -0.018
local terms energy: -75.504575
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -18.613
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -15.992
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: 8
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -212.878064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.878064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.878064 (E_RNA)
where:
Base-Base interactions energy: -141.293
where: short stacking energy: -71.918
Base-Backbone interact. energy: -0.382
local terms energy: -71.202561
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -15.269
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -18.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -181.092598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.092598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.092598 (E_RNA)
where:
Base-Base interactions energy: -121.288
where: short stacking energy: -61.667
Base-Backbone interact. energy: -0.002
local terms energy: -59.802846
where:
bonds (distance) C4'-P energy: -11.201
bonds (distance) P-C4' energy: -11.523
flat angles C4'-P-C4' energy: -10.168
flat angles P-C4'-P energy: -10.564
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: 6
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -133.808435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.808435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.808435 (E_RNA)
where:
Base-Base interactions energy: -81.303
where: short stacking energy: -46.920
Base-Backbone interact. energy: -0.095
local terms energy: -52.410494
where:
bonds (distance) C4'-P energy: -10.981
bonds (distance) P-C4' energy: -10.993
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -8.561
tors. eta vs tors. theta energy: -9.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -84.171711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.171711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.171711 (E_RNA)
where:
Base-Base interactions energy: -28.708
where: short stacking energy: -26.285
Base-Backbone interact. energy: -0.901
local terms energy: -54.562846
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -12.052
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -2.479
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: 9, replica: 3
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -101.398330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.398330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.398330 (E_RNA)
where:
Base-Base interactions energy: -47.957
where: short stacking energy: -29.932
Base-Backbone interact. energy: -0.130
local terms energy: -53.311372
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -12.141
flat angles P-C4'-P energy: -9.970
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: 10, replica: 10
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -95.870445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.870445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.870445 (E_RNA)
where:
Base-Base interactions energy: -42.599
where: short stacking energy: -30.505
Base-Backbone interact. energy: 0.079
local terms energy: -53.350254
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -3.575
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: 4
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -224.589927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.589927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.589927 (E_RNA)
where:
Base-Base interactions energy: -157.564
where: short stacking energy: -76.613
Base-Backbone interact. energy: -0.223
local terms energy: -66.803256
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -13.031
flat angles C4'-P-C4' energy: -13.368
flat angles P-C4'-P energy: -2.380
tors. eta vs tors. theta energy: -22.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -216.021453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.021453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.021453 (E_RNA)
where:
Base-Base interactions energy: -141.470
where: short stacking energy: -64.062
Base-Backbone interact. energy: -0.701
local terms energy: -73.849896
where:
bonds (distance) C4'-P energy: -15.683
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -18.530
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: 5
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -227.738942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.738942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.738942 (E_RNA)
where:
Base-Base interactions energy: -151.501
where: short stacking energy: -71.734
Base-Backbone interact. energy: -0.183
local terms energy: -76.054569
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -12.907
tors. eta vs tors. theta energy: -19.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -221.436567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.436567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.436567 (E_RNA)
where:
Base-Base interactions energy: -146.434
where: short stacking energy: -74.742
Base-Backbone interact. energy: -0.002
local terms energy: -75.000509
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -12.472
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -21.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -200.351767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.351767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.351767 (E_RNA)
where:
Base-Base interactions energy: -139.258
where: short stacking energy: -61.666
Base-Backbone interact. energy: -0.051
local terms energy: -61.042292
where:
bonds (distance) C4'-P energy: -12.523
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -14.201
flat angles P-C4'-P energy: -6.734
tors. eta vs tors. theta energy: -10.884
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: 7
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -186.815954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.815954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.815954 (E_RNA)
where:
Base-Base interactions energy: -111.166
where: short stacking energy: -59.835
Base-Backbone interact. energy: -0.001
local terms energy: -75.648650
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -13.950
tors. eta vs tors. theta energy: -17.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -142.990963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.990963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.990963 (E_RNA)
where:
Base-Base interactions energy: -86.527
where: short stacking energy: -52.910
Base-Backbone interact. energy: -0.499
local terms energy: -55.965279
where:
bonds (distance) C4'-P energy: -8.861
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: -9.381
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: 3
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -86.075153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.075153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.075153 (E_RNA)
where:
Base-Base interactions energy: -38.316
where: short stacking energy: -35.863
Base-Backbone interact. energy: -0.460
local terms energy: -47.298784
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -9.501
flat angles P-C4'-P energy: -2.256
tors. eta vs tors. theta energy: -5.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -76.193275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.193275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.193275 (E_RNA)
where:
Base-Base interactions energy: -36.389
where: short stacking energy: -25.862
Base-Backbone interact. energy: -0.111
local terms energy: -39.692527
where:
bonds (distance) C4'-P energy: -11.763
bonds (distance) P-C4' energy: -9.658
flat angles C4'-P-C4' energy: -10.787
flat angles P-C4'-P energy: -6.272
tors. eta vs tors. theta energy: -1.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -77.130030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.130030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.130030 (E_RNA)
where:
Base-Base interactions energy: -39.697
where: short stacking energy: -23.278
Base-Backbone interact. energy: -0.584
local terms energy: -36.848861
where:
bonds (distance) C4'-P energy: -6.589
bonds (distance) P-C4' energy: -14.913
flat angles C4'-P-C4' energy: -11.744
flat angles P-C4'-P energy: -7.240
tors. eta vs tors. theta energy: 3.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -233.280854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.280854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.280854 (E_RNA)
where:
Base-Base interactions energy: -156.568
where: short stacking energy: -76.138
Base-Backbone interact. energy: -0.212
local terms energy: -76.501107
where:
bonds (distance) C4'-P energy: -13.930
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -11.388
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: 2, replica: 1
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -224.769746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.769746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.769746 (E_RNA)
where:
Base-Base interactions energy: -140.385
where: short stacking energy: -65.615
Base-Backbone interact. energy: -0.012
local terms energy: -84.372867
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -17.549
flat angles C4'-P-C4' energy: -18.587
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -20.304
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: 8
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -222.439335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.439335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.439335 (E_RNA)
where:
Base-Base interactions energy: -149.009
where: short stacking energy: -72.530
Base-Backbone interact. energy: -1.189
local terms energy: -72.241214
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -10.303
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: -19.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -223.178342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.178342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.178342 (E_RNA)
where:
Base-Base interactions energy: -153.048
where: short stacking energy: -71.649
Base-Backbone interact. energy: -0.031
local terms energy: -70.099320
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -18.822
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: 2
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -185.368708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.368708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.368708 (E_RNA)
where:
Base-Base interactions energy: -126.366
where: short stacking energy: -56.625
Base-Backbone interact. energy: 0.659
local terms energy: -59.662127
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -5.532
flat angles P-C4'-P energy: -10.285
tors. eta vs tors. theta energy: -14.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -178.694329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.694329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.694329 (E_RNA)
where:
Base-Base interactions energy: -119.450
where: short stacking energy: -58.131
Base-Backbone interact. energy: -0.035
local terms energy: -59.209625
where:
bonds (distance) C4'-P energy: -12.127
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -5.705
tors. eta vs tors. theta energy: -12.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -100.974179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.974179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.974179 (E_RNA)
where:
Base-Base interactions energy: -61.410
where: short stacking energy: -33.464
Base-Backbone interact. energy: -0.024
local terms energy: -39.539999
where:
bonds (distance) C4'-P energy: -11.214
bonds (distance) P-C4' energy: -11.931
flat angles C4'-P-C4' energy: -9.362
flat angles P-C4'-P energy: -6.927
tors. eta vs tors. theta energy: -0.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -135.496150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.496150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.496150 (E_RNA)
where:
Base-Base interactions energy: -84.636
where: short stacking energy: -48.747
Base-Backbone interact. energy: -0.425
local terms energy: -50.434606
where:
bonds (distance) C4'-P energy: -10.042
bonds (distance) P-C4' energy: -11.734
flat angles C4'-P-C4' energy: -11.261
flat angles P-C4'-P energy: -7.335
tors. eta vs tors. theta energy: -10.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -77.282456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.282456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.282456 (E_RNA)
where:
Base-Base interactions energy: -26.690
where: short stacking energy: -21.374
Base-Backbone interact. energy: 0.221
local terms energy: -50.814093
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -9.321
flat angles P-C4'-P energy: -10.965
tors. eta vs tors. theta energy: -2.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -78.629554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.629554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.629554 (E_RNA)
where:
Base-Base interactions energy: -28.631
where: short stacking energy: -24.539
Base-Backbone interact. energy: -0.009
local terms energy: -49.988917
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -14.185
flat angles C4'-P-C4' energy: -6.613
flat angles P-C4'-P energy: -8.032
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: 1, replica: 4
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -228.955809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.955809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.955809 (E_RNA)
where:
Base-Base interactions energy: -148.263
where: short stacking energy: -74.560
Base-Backbone interact. energy: -0.001
local terms energy: -80.691889
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -17.078
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -23.158
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: 2, replica: 1
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -217.983702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.983702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.983702 (E_RNA)
where:
Base-Base interactions energy: -142.500
where: short stacking energy: -67.544
Base-Backbone interact. energy: -0.001
local terms energy: -75.482094
where:
bonds (distance) C4'-P energy: -11.215
bonds (distance) P-C4' energy: -17.301
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -11.200
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: 3, replica: 8
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -227.227024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.227024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.227024 (E_RNA)
where:
Base-Base interactions energy: -158.907
where: short stacking energy: -77.859
Base-Backbone interact. energy: 0.758
local terms energy: -69.077367
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -12.418
flat angles C4'-P-C4' energy: -13.317
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -20.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -192.477911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.477911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.477911 (E_RNA)
where:
Base-Base interactions energy: -126.491
where: short stacking energy: -64.510
Base-Backbone interact. energy: 0.821
local terms energy: -66.807962
where:
bonds (distance) C4'-P energy: -11.441
bonds (distance) P-C4' energy: -18.373
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -5.436
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: 5, replica: 5
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -212.355003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.355003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.355003 (E_RNA)
where:
Base-Base interactions energy: -141.700
where: short stacking energy: -57.170
Base-Backbone interact. energy: -0.011
local terms energy: -70.644288
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -16.997
flat angles P-C4'-P energy: -6.487
tors. eta vs tors. theta energy: -16.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -175.433364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.433364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.433364 (E_RNA)
where:
Base-Base interactions energy: -113.994
where: short stacking energy: -55.330
Base-Backbone interact. energy: 0.134
local terms energy: -61.573225
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -12.108
flat angles C4'-P-C4' energy: -17.141
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: -9.551
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: 3
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -115.456312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.456312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.456312 (E_RNA)
where:
Base-Base interactions energy: -73.133
where: short stacking energy: -29.365
Base-Backbone interact. energy: -0.276
local terms energy: -42.047942
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -9.812
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -6.019
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: 8, replica: 10
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -83.029359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.029359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.029359 (E_RNA)
where:
Base-Base interactions energy: -30.305
where: short stacking energy: -29.651
Base-Backbone interact. energy: -0.676
local terms energy: -52.048039
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -5.036
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: 6
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -106.685524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.685524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.685524 (E_RNA)
where:
Base-Base interactions energy: -48.115
where: short stacking energy: -20.796
Base-Backbone interact. energy: -0.001
local terms energy: -58.569788
where:
bonds (distance) C4'-P energy: -16.838
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -12.022
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -5.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -83.614516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.614516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.614516 (E_RNA)
where:
Base-Base interactions energy: -35.660
where: short stacking energy: -35.660
Base-Backbone interact. energy: -0.171
local terms energy: -47.783058
where:
bonds (distance) C4'-P energy: -9.283
bonds (distance) P-C4' energy: -18.448
flat angles C4'-P-C4' energy: -11.293
flat angles P-C4'-P energy: -4.078
tors. eta vs tors. theta energy: -4.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -229.863359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.863359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.863359 (E_RNA)
where:
Base-Base interactions energy: -148.131
where: short stacking energy: -60.092
Base-Backbone interact. energy: -0.633
local terms energy: -81.098952
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -18.802
flat angles P-C4'-P energy: -10.634
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: 2, replica: 1
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -215.274245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.274245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.274245 (E_RNA)
where:
Base-Base interactions energy: -141.047
where: short stacking energy: -65.661
Base-Backbone interact. energy: -0.014
local terms energy: -74.213128
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -8.309
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: 3, replica: 2
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -201.426830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.426830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.426830 (E_RNA)
where:
Base-Base interactions energy: -129.876
where: short stacking energy: -63.856
Base-Backbone interact. energy: -0.295
local terms energy: -71.255247
where:
bonds (distance) C4'-P energy: -16.254
bonds (distance) P-C4' energy: -14.534
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -16.631
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: 8
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -224.610234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.610234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.610234 (E_RNA)
where:
Base-Base interactions energy: -145.155
where: short stacking energy: -70.201
Base-Backbone interact. energy: -0.264
local terms energy: -79.191291
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -17.407
flat angles C4'-P-C4' energy: -17.018
flat angles P-C4'-P energy: -6.838
tors. eta vs tors. theta energy: -22.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -182.596298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.596298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.596298 (E_RNA)
where:
Base-Base interactions energy: -110.263
where: short stacking energy: -57.969
Base-Backbone interact. energy: -0.613
local terms energy: -71.719665
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -12.693
tors. eta vs tors. theta energy: -15.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -174.201274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.201274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.201274 (E_RNA)
where:
Base-Base interactions energy: -111.718
where: short stacking energy: -51.674
Base-Backbone interact. energy: -0.174
local terms energy: -62.309123
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -11.420
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -12.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -126.357418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.357418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.357418 (E_RNA)
where:
Base-Base interactions energy: -79.170
where: short stacking energy: -50.713
Base-Backbone interact. energy: -0.247
local terms energy: -46.940192
where:
bonds (distance) C4'-P energy: -12.034
bonds (distance) P-C4' energy: -10.165
flat angles C4'-P-C4' energy: -10.664
flat angles P-C4'-P energy: -5.266
tors. eta vs tors. theta energy: -8.812
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: 8, replica: 10
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -80.452464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.452464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.452464 (E_RNA)
where:
Base-Base interactions energy: -28.142
where: short stacking energy: -26.615
Base-Backbone interact. energy: 0.157
local terms energy: -52.467506
where:
bonds (distance) C4'-P energy: -10.793
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -11.695
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -2.023
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: 9
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -79.449074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.449074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.449074 (E_RNA)
where:
Base-Base interactions energy: -28.169
where: short stacking energy: -16.937
Base-Backbone interact. energy: -1.693
local terms energy: -49.586509
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -13.064
flat angles P-C4'-P energy: -9.046
tors. eta vs tors. theta energy: 2.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -76.568577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.568577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.568577 (E_RNA)
where:
Base-Base interactions energy: -35.516
where: short stacking energy: -20.486
Base-Backbone interact. energy: -0.131
local terms energy: -40.921277
where:
bonds (distance) C4'-P energy: -5.736
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -10.960
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: 1.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -228.172817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.172817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.172817 (E_RNA)
where:
Base-Base interactions energy: -153.704
where: short stacking energy: -67.942
Base-Backbone interact. energy: -0.632
local terms energy: -73.837361
where:
bonds (distance) C4'-P energy: -13.918
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -16.779
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: -21.419
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: 2
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -207.319840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.319840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.319840 (E_RNA)
where:
Base-Base interactions energy: -138.749
where: short stacking energy: -69.046
Base-Backbone interact. energy: -0.054
local terms energy: -68.516641
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -12.487
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -15.795
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: 1
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -218.421728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.421728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.421728 (E_RNA)
where:
Base-Base interactions energy: -150.963
where: short stacking energy: -68.765
Base-Backbone interact. energy: -0.666
local terms energy: -66.793348
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -10.901
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -6.659
tors. eta vs tors. theta energy: -18.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -188.574966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.574966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.574966 (E_RNA)
where:
Base-Base interactions energy: -121.130
where: short stacking energy: -64.693
Base-Backbone interact. energy: -0.928
local terms energy: -66.516194
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -11.120
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: 5, replica: 8
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -206.351358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.351358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.351358 (E_RNA)
where:
Base-Base interactions energy: -139.147
where: short stacking energy: -68.557
Base-Backbone interact. energy: -0.086
local terms energy: -67.118195
where:
bonds (distance) C4'-P energy: -9.569
bonds (distance) P-C4' energy: -14.280
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -17.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -126.300905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.300905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.300905 (E_RNA)
where:
Base-Base interactions energy: -73.142
where: short stacking energy: -46.786
Base-Backbone interact. energy: -0.055
local terms energy: -53.104447
where:
bonds (distance) C4'-P energy: -7.968
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -10.976
tors. eta vs tors. theta energy: -6.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -184.992110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.992110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.992110 (E_RNA)
where:
Base-Base interactions energy: -122.439
where: short stacking energy: -57.109
Base-Backbone interact. energy: -0.366
local terms energy: -62.187463
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -11.098
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -6.566
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: 9
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -88.257523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.257523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.257523 (E_RNA)
where:
Base-Base interactions energy: -34.553
where: short stacking energy: -30.966
Base-Backbone interact. energy: -0.025
local terms energy: -53.679559
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -11.959
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -5.153
tors. eta vs tors. theta energy: -5.109
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: 10
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -74.958931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.958931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.958931 (E_RNA)
where:
Base-Base interactions energy: -20.491
where: short stacking energy: -20.491
Base-Backbone interact. energy: -0.059
local terms energy: -54.408588
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -14.021
flat angles C4'-P-C4' energy: -11.887
flat angles P-C4'-P energy: -11.868
tors. eta vs tors. theta energy: -1.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -84.398468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.398468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.398468 (E_RNA)
where:
Base-Base interactions energy: -31.122
where: short stacking energy: -27.315
Base-Backbone interact. energy: -0.547
local terms energy: -52.729056
where:
bonds (distance) C4'-P energy: -9.947
bonds (distance) P-C4' energy: -11.732
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -6.475
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: 4
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -230.839307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.839307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.839307 (E_RNA)
where:
Base-Base interactions energy: -152.591
where: short stacking energy: -73.753
Base-Backbone interact. energy: -0.678
local terms energy: -77.569922
where:
bonds (distance) C4'-P energy: -9.853
bonds (distance) P-C4' energy: -14.810
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -13.311
tors. eta vs tors. theta energy: -22.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -199.207940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.207940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.207940 (E_RNA)
where:
Base-Base interactions energy: -131.093
where: short stacking energy: -70.283
Base-Backbone interact. energy: -0.086
local terms energy: -68.028885
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -15.743
flat angles C4'-P-C4' energy: -17.465
flat angles P-C4'-P energy: -7.555
tors. eta vs tors. theta energy: -15.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -221.069266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.069266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.069266 (E_RNA)
where:
Base-Base interactions energy: -143.132
where: short stacking energy: -65.540
Base-Backbone interact. energy: -0.269
local terms energy: -77.667502
where:
bonds (distance) C4'-P energy: -14.121
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -11.800
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: 4, replica: 5
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -206.984699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.984699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.984699 (E_RNA)
where:
Base-Base interactions energy: -141.024
where: short stacking energy: -68.819
Base-Backbone interact. energy: -0.577
local terms energy: -65.383176
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -11.943
flat angles C4'-P-C4' energy: -11.761
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -19.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -211.548529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.548529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.548529 (E_RNA)
where:
Base-Base interactions energy: -140.999
where: short stacking energy: -62.874
Base-Backbone interact. energy: -0.129
local terms energy: -70.420700
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -13.364
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -19.915
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: 3
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -130.785492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.785492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.785492 (E_RNA)
where:
Base-Base interactions energy: -75.689
where: short stacking energy: -44.349
Base-Backbone interact. energy: -0.041
local terms energy: -55.054776
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -13.066
flat angles P-C4'-P energy: -6.114
tors. eta vs tors. theta energy: -7.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -172.409363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.409363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.409363 (E_RNA)
where:
Base-Base interactions energy: -114.277
where: short stacking energy: -51.831
Base-Backbone interact. energy: 0.660
local terms energy: -58.792769
where:
bonds (distance) C4'-P energy: -16.926
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -11.235
flat angles P-C4'-P energy: -4.582
tors. eta vs tors. theta energy: -11.354
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: 9
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -86.421444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.421444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.421444 (E_RNA)
where:
Base-Base interactions energy: -34.489
where: short stacking energy: -29.276
Base-Backbone interact. energy: -0.114
local terms energy: -51.818775
where:
bonds (distance) C4'-P energy: -9.150
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -11.289
flat angles P-C4'-P energy: -12.806
tors. eta vs tors. theta energy: -4.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -80.239462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.239462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.239462 (E_RNA)
where:
Base-Base interactions energy: -29.611
where: short stacking energy: -29.611
Base-Backbone interact. energy: -0.049
local terms energy: -50.579243
where:
bonds (distance) C4'-P energy: -8.428
bonds (distance) P-C4' energy: -13.696
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -6.550
tors. eta vs tors. theta energy: -9.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -80.593916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.593916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.593916 (E_RNA)
where:
Base-Base interactions energy: -36.363
where: short stacking energy: -25.351
Base-Backbone interact. energy: -0.150
local terms energy: -44.081104
where:
bonds (distance) C4'-P energy: -8.419
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -8.730
flat angles P-C4'-P energy: -7.702
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: 4
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -225.985149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.985149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.985149 (E_RNA)
where:
Base-Base interactions energy: -148.543
where: short stacking energy: -73.625
Base-Backbone interact. energy: -0.005
local terms energy: -77.437453
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -12.027
tors. eta vs tors. theta energy: -20.288
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: 1
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -218.454571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.454571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.454571 (E_RNA)
where:
Base-Base interactions energy: -143.666
where: short stacking energy: -61.101
Base-Backbone interact. energy: -0.132
local terms energy: -74.656244
where:
bonds (distance) C4'-P energy: -16.996
bonds (distance) P-C4' energy: -17.007
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -17.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -191.906081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.906081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.906081 (E_RNA)
where:
Base-Base interactions energy: -124.730
where: short stacking energy: -63.037
Base-Backbone interact. energy: -0.206
local terms energy: -66.970361
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -14.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -213.864075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.864075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.864075 (E_RNA)
where:
Base-Base interactions energy: -138.108
where: short stacking energy: -71.944
Base-Backbone interact. energy: -0.000
local terms energy: -75.755943
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -19.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -191.359743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.359743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.359743 (E_RNA)
where:
Base-Base interactions energy: -135.859
where: short stacking energy: -55.490
Base-Backbone interact. energy: -0.379
local terms energy: -55.121981
where:
bonds (distance) C4'-P energy: -13.472
bonds (distance) P-C4' energy: -10.257
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -4.634
tors. eta vs tors. theta energy: -11.144
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: 299
Temperature: 1.150000
Total energy: -172.376793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.376793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.376793 (E_RNA)
where:
Base-Base interactions energy: -106.872
where: short stacking energy: -56.159
Base-Backbone interact. energy: -0.063
local terms energy: -65.441823
where:
bonds (distance) C4'-P energy: -13.506
bonds (distance) P-C4' energy: -10.651
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -9.091
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: 7, replica: 3
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -118.675084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.675084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.675084 (E_RNA)
where:
Base-Base interactions energy: -69.266
where: short stacking energy: -35.161
Base-Backbone interact. energy: -0.153
local terms energy: -49.256027
where:
bonds (distance) C4'-P energy: -8.331
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -7.942
tors. eta vs tors. theta energy: -2.649
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: 6
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -89.115760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.115760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.115760 (E_RNA)
where:
Base-Base interactions energy: -34.703
where: short stacking energy: -30.222
Base-Backbone interact. energy: -0.175
local terms energy: -54.237858
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -15.024
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -7.471
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: 9, replica: 9
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -81.099267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.099267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.099267 (E_RNA)
where:
Base-Base interactions energy: -28.080
where: short stacking energy: -28.080
Base-Backbone interact. energy: -0.115
local terms energy: -52.904206
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -12.395
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: -0.252
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: 10
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -80.794094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.794094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.794094 (E_RNA)
where:
Base-Base interactions energy: -31.112
where: short stacking energy: -31.082
Base-Backbone interact. energy: -0.187
local terms energy: -49.495064
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -4.706
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: 1
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -222.503355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.503355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.503355 (E_RNA)
where:
Base-Base interactions energy: -141.531
where: short stacking energy: -64.548
Base-Backbone interact. energy: -0.793
local terms energy: -80.179779
where:
bonds (distance) C4'-P energy: -13.895
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -14.140
tors. eta vs tors. theta energy: -20.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -224.459216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.459216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.459216 (E_RNA)
where:
Base-Base interactions energy: -147.088
where: short stacking energy: -69.854
Base-Backbone interact. energy: 1.556
local terms energy: -78.927627
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -17.201
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: -19.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -216.300673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.300673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.300673 (E_RNA)
where:
Base-Base interactions energy: -139.693
where: short stacking energy: -64.759
Base-Backbone interact. energy: -0.072
local terms energy: -76.535629
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -10.769
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: 4, replica: 2
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -200.252554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.252554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.252554 (E_RNA)
where:
Base-Base interactions energy: -130.837
where: short stacking energy: -71.912
Base-Backbone interact. energy: -0.005
local terms energy: -69.409746
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -9.638
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: 5, replica: 5
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -205.185232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.185232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.185232 (E_RNA)
where:
Base-Base interactions energy: -126.138
where: short stacking energy: -67.042
Base-Backbone interact. energy: -0.071
local terms energy: -78.976564
where:
bonds (distance) C4'-P energy: -12.909
bonds (distance) P-C4' energy: -17.338
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -12.534
tors. eta vs tors. theta energy: -20.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -174.211589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.211589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.211589 (E_RNA)
where:
Base-Base interactions energy: -109.112
where: short stacking energy: -59.649
Base-Backbone interact. energy: -0.553
local terms energy: -64.547485
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -10.752
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -14.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -104.124409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.124409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.124409 (E_RNA)
where:
Base-Base interactions energy: -42.413
where: short stacking energy: -40.121
Base-Backbone interact. energy: -0.055
local terms energy: -61.656767
where:
bonds (distance) C4'-P energy: -9.284
bonds (distance) P-C4' energy: -15.009
flat angles C4'-P-C4' energy: -10.787
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -15.487
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: 3
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -80.706736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.706736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.706736 (E_RNA)
where:
Base-Base interactions energy: -33.923
where: short stacking energy: -33.923
Base-Backbone interact. energy: -0.109
local terms energy: -46.674808
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -16.862
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -2.386
tors. eta vs tors. theta energy: 0.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -91.759740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.759740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.759740 (E_RNA)
where:
Base-Base interactions energy: -39.867
where: short stacking energy: -39.867
Base-Backbone interact. energy: -0.082
local terms energy: -51.810282
where:
bonds (distance) C4'-P energy: -11.400
bonds (distance) P-C4' energy: -16.109
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -4.374
tors. eta vs tors. theta energy: -6.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -75.165475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.165475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.165475 (E_RNA)
where:
Base-Base interactions energy: -31.751
where: short stacking energy: -19.717
Base-Backbone interact. energy: -0.040
local terms energy: -43.374606
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -10.453
flat angles P-C4'-P energy: -2.577
tors. eta vs tors. theta energy: 3.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -227.546561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.546561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.546561 (E_RNA)
where:
Base-Base interactions energy: -146.155
where: short stacking energy: -72.418
Base-Backbone interact. energy: -0.007
local terms energy: -81.385249
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -13.021
tors. eta vs tors. theta energy: -21.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -220.897124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.897124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.897124 (E_RNA)
where:
Base-Base interactions energy: -153.872
where: short stacking energy: -65.069
Base-Backbone interact. energy: -0.733
local terms energy: -66.291219
where:
bonds (distance) C4'-P energy: -10.139
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -17.061
flat angles P-C4'-P energy: -7.828
tors. eta vs tors. theta energy: -17.129
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: 4
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -224.694877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.694877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.694877 (E_RNA)
where:
Base-Base interactions energy: -146.861
where: short stacking energy: -71.289
Base-Backbone interact. energy: -0.002
local terms energy: -77.832035
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -9.915
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: 5
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -211.171343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.171343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.171343 (E_RNA)
where:
Base-Base interactions energy: -141.855
where: short stacking energy: -67.367
Base-Backbone interact. energy: -0.576
local terms energy: -68.740152
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -4.117
tors. eta vs tors. theta energy: -21.434
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: 2
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -183.793163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.793163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.793163 (E_RNA)
where:
Base-Base interactions energy: -120.406
where: short stacking energy: -56.304
Base-Backbone interact. energy: -0.034
local terms energy: -63.352572
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -9.322
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: 6, replica: 7
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -175.472152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.472152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.472152 (E_RNA)
where:
Base-Base interactions energy: -112.916
where: short stacking energy: -54.124
Base-Backbone interact. energy: -0.001
local terms energy: -62.555081
where:
bonds (distance) C4'-P energy: -10.837
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -10.319
tors. eta vs tors. theta energy: -12.512
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: 6
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -87.913086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.913086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.913086 (E_RNA)
where:
Base-Base interactions energy: -36.103
where: short stacking energy: -32.649
Base-Backbone interact. energy: -0.097
local terms energy: -51.712483
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -12.642
flat angles C4'-P-C4' energy: -11.681
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -4.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -86.136963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.136963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.136963 (E_RNA)
where:
Base-Base interactions energy: -34.204
where: short stacking energy: -33.275
Base-Backbone interact. energy: -0.265
local terms energy: -51.668055
where:
bonds (distance) C4'-P energy: -12.034
bonds (distance) P-C4' energy: -10.297
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -7.693
tors. eta vs tors. theta energy: -6.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -85.521196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.521196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.521196 (E_RNA)
where:
Base-Base interactions energy: -42.375
where: short stacking energy: -30.153
Base-Backbone interact. energy: -0.053
local terms energy: -43.093022
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -11.245
flat angles P-C4'-P energy: -5.176
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: 9
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -78.454259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.454259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.454259 (E_RNA)
where:
Base-Base interactions energy: -38.896
where: short stacking energy: -21.401
Base-Backbone interact. energy: -0.492
local terms energy: -39.066332
where:
bonds (distance) C4'-P energy: -9.056
bonds (distance) P-C4' energy: -12.374
flat angles C4'-P-C4' energy: -11.614
flat angles P-C4'-P energy: -5.750
tors. eta vs tors. theta energy: -0.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -225.579592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.579592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.579592 (E_RNA)
where:
Base-Base interactions energy: -142.782
where: short stacking energy: -68.512
Base-Backbone interact. energy: 0.904
local terms energy: -83.701974
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -12.587
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: 2, replica: 8
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -222.913283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.913283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.913283 (E_RNA)
where:
Base-Base interactions energy: -143.850
where: short stacking energy: -63.487
Base-Backbone interact. energy: -0.256
local terms energy: -78.807751
where:
bonds (distance) C4'-P energy: -17.712
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -17.121
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: 5
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -212.120488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.120488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.120488 (E_RNA)
where:
Base-Base interactions energy: -132.026
where: short stacking energy: -67.516
Base-Backbone interact. energy: -0.272
local terms energy: -79.821864
where:
bonds (distance) C4'-P energy: -17.852
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -12.841
tors. eta vs tors. theta energy: -21.222
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: 4
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -222.880982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.880982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.880982 (E_RNA)
where:
Base-Base interactions energy: -147.959
where: short stacking energy: -75.366
Base-Backbone interact. energy: -0.631
local terms energy: -74.291418
where:
bonds (distance) C4'-P energy: -9.098
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -9.893
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: 5, replica: 7
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -198.249319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.249319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.249319 (E_RNA)
where:
Base-Base interactions energy: -124.196
where: short stacking energy: -62.199
Base-Backbone interact. energy: -0.001
local terms energy: -74.051496
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -18.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -161.919856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.919856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.919856 (E_RNA)
where:
Base-Base interactions energy: -110.127
where: short stacking energy: -49.720
Base-Backbone interact. energy: 0.077
local terms energy: -51.869579
where:
bonds (distance) C4'-P energy: -9.880
bonds (distance) P-C4' energy: -8.273
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -9.060
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: 7, replica: 6
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -110.939202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.939202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.939202 (E_RNA)
where:
Base-Base interactions energy: -57.268
where: short stacking energy: -36.746
Base-Backbone interact. energy: -0.021
local terms energy: -53.649442
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -3.561
tors. eta vs tors. theta energy: -9.119
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: 302
Temperature: 1.250000
Total energy: -86.645610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.645610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.645610 (E_RNA)
where:
Base-Base interactions energy: -35.561
where: short stacking energy: -28.322
Base-Backbone interact. energy: 1.112
local terms energy: -52.196343
where:
bonds (distance) C4'-P energy: -7.742
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -15.631
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: 0.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -97.426075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.426075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.426075 (E_RNA)
where:
Base-Base interactions energy: -43.287
where: short stacking energy: -36.866
Base-Backbone interact. energy: 0.397
local terms energy: -54.535609
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -11.721
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -1.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -79.143737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.143737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.143737 (E_RNA)
where:
Base-Base interactions energy: -25.147
where: short stacking energy: -21.436
Base-Backbone interact. energy: -0.006
local terms energy: -53.990403
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -11.105
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: 1, replica: 1
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -228.754779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.754779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.754779 (E_RNA)
where:
Base-Base interactions energy: -147.287
where: short stacking energy: -67.138
Base-Backbone interact. energy: -0.416
local terms energy: -81.051891
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -12.778
tors. eta vs tors. theta energy: -22.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -224.355147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.355147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.355147 (E_RNA)
where:
Base-Base interactions energy: -150.546
where: short stacking energy: -71.996
Base-Backbone interact. energy: -0.007
local terms energy: -73.802169
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -13.406
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -19.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -226.212629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.212629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.212629 (E_RNA)
where:
Base-Base interactions energy: -151.466
where: short stacking energy: -75.214
Base-Backbone interact. energy: -0.006
local terms energy: -74.741112
where:
bonds (distance) C4'-P energy: -11.130
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -10.829
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: 303
Temperature: 1.050000
Total energy: -201.599774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.599774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.599774 (E_RNA)
where:
Base-Base interactions energy: -126.242
where: short stacking energy: -67.119
Base-Backbone interact. energy: -0.245
local terms energy: -75.112971
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -21.020
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: 4
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -197.993149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.993149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.993149 (E_RNA)
where:
Base-Base interactions energy: -127.550
where: short stacking energy: -63.798
Base-Backbone interact. energy: -0.024
local terms energy: -70.418915
where:
bonds (distance) C4'-P energy: -15.513
bonds (distance) P-C4' energy: -14.220
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -18.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -178.903151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.903151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.903151 (E_RNA)
where:
Base-Base interactions energy: -111.424
where: short stacking energy: -52.292
Base-Backbone interact. energy: -0.347
local terms energy: -67.132763
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -6.456
tors. eta vs tors. theta energy: -12.087
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: 6
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -94.146077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.146077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.146077 (E_RNA)
where:
Base-Base interactions energy: -35.682
where: short stacking energy: -33.251
Base-Backbone interact. energy: -0.112
local terms energy: -58.351728
where:
bonds (distance) C4'-P energy: -9.123
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -7.899
tors. eta vs tors. theta energy: -10.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -81.300931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.300931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.300931 (E_RNA)
where:
Base-Base interactions energy: -35.395
where: short stacking energy: -23.732
Base-Backbone interact. energy: -0.753
local terms energy: -45.152784
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -5.998
tors. eta vs tors. theta energy: -0.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -79.027624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.027624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.027624 (E_RNA)
where:
Base-Base interactions energy: -33.047
where: short stacking energy: -18.118
Base-Backbone interact. energy: -0.734
local terms energy: -45.246910
where:
bonds (distance) C4'-P energy: -9.267
bonds (distance) P-C4' energy: -12.823
flat angles C4'-P-C4' energy: -8.633
flat angles P-C4'-P energy: -12.631
tors. eta vs tors. theta energy: -1.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -87.903531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.903531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.903531 (E_RNA)
where:
Base-Base interactions energy: -48.146
where: short stacking energy: -41.947
Base-Backbone interact. energy: 0.200
local terms energy: -39.957661
where:
bonds (distance) C4'-P energy: -9.759
bonds (distance) P-C4' energy: -7.816
flat angles C4'-P-C4' energy: -5.878
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -6.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -231.719843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.719843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.719843 (E_RNA)
where:
Base-Base interactions energy: -154.273
where: short stacking energy: -74.741
Base-Backbone interact. energy: -0.014
local terms energy: -77.433257
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -17.547
flat angles P-C4'-P energy: -12.959
tors. eta vs tors. theta energy: -21.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -229.902282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.902282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.902282 (E_RNA)
where:
Base-Base interactions energy: -148.783
where: short stacking energy: -72.853
Base-Backbone interact. energy: 0.130
local terms energy: -81.249107
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -17.142
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -17.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -206.183008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.183008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.183008 (E_RNA)
where:
Base-Base interactions energy: -132.543
where: short stacking energy: -59.691
Base-Backbone interact. energy: -0.548
local terms energy: -73.091933
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -12.730
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -10.151
tors. eta vs tors. theta energy: -18.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -210.177420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.177420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.177420 (E_RNA)
where:
Base-Base interactions energy: -141.367
where: short stacking energy: -65.485
Base-Backbone interact. energy: -0.004
local terms energy: -68.806485
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -8.825
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -7.006
tors. eta vs tors. theta energy: -20.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -196.933094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.933094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.933094 (E_RNA)
where:
Base-Base interactions energy: -133.227
where: short stacking energy: -63.036
Base-Backbone interact. energy: -1.458
local terms energy: -62.247755
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -12.474
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -11.535
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: 304
Temperature: 1.150000
Total energy: -188.374878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.374878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.374878 (E_RNA)
where:
Base-Base interactions energy: -124.389
where: short stacking energy: -59.487
Base-Backbone interact. energy: -0.300
local terms energy: -63.686182
where:
bonds (distance) C4'-P energy: -14.581
bonds (distance) P-C4' energy: -9.085
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -8.233
tors. eta vs tors. theta energy: -16.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -87.334697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.334697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.334697 (E_RNA)
where:
Base-Base interactions energy: -37.767
where: short stacking energy: -21.860
Base-Backbone interact. energy: 0.521
local terms energy: -50.088531
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -6.359
tors. eta vs tors. theta energy: -1.487
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: 6
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -86.846029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.846029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.846029 (E_RNA)
where:
Base-Base interactions energy: -47.188
where: short stacking energy: -20.885
Base-Backbone interact. energy: -0.470
local terms energy: -39.187561
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -8.421
flat angles C4'-P-C4' energy: -8.506
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: 3.480
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: 10
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -95.052041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.052041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.052041 (E_RNA)
where:
Base-Base interactions energy: -38.125
where: short stacking energy: -21.506
Base-Backbone interact. energy: -0.086
local terms energy: -56.841183
where:
bonds (distance) C4'-P energy: -12.498
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -11.166
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -5.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -77.352861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.352861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.352861 (E_RNA)
where:
Base-Base interactions energy: -30.037
where: short stacking energy: -19.553
Base-Backbone interact. energy: -0.041
local terms energy: -47.274745
where:
bonds (distance) C4'-P energy: -12.868
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -6.667
tors. eta vs tors. theta energy: 1.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -228.587480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.587480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.587480 (E_RNA)
where:
Base-Base interactions energy: -152.777
where: short stacking energy: -70.841
Base-Backbone interact. energy: -0.076
local terms energy: -75.734341
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -11.913
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -10.566
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: 2, replica: 5
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -213.982789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.982789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.982789 (E_RNA)
where:
Base-Base interactions energy: -140.551
where: short stacking energy: -71.688
Base-Backbone interact. energy: -0.054
local terms energy: -73.378279
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -21.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -200.817548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.817548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.817548 (E_RNA)
where:
Base-Base interactions energy: -129.524
where: short stacking energy: -65.546
Base-Backbone interact. energy: 0.532
local terms energy: -71.824762
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -7.898
tors. eta vs tors. theta energy: -18.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -188.552891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.552891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.552891 (E_RNA)
where:
Base-Base interactions energy: -114.125
where: short stacking energy: -52.478
Base-Backbone interact. energy: -0.021
local terms energy: -74.406160
where:
bonds (distance) C4'-P energy: -16.060
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -14.071
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: 5, replica: 8
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -209.272526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.272526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.272526 (E_RNA)
where:
Base-Base interactions energy: -141.885
where: short stacking energy: -66.271
Base-Backbone interact. energy: -0.000
local terms energy: -67.386883
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -13.411
flat angles C4'-P-C4' energy: -16.261
flat angles P-C4'-P energy: -6.065
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: 4
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -195.983745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.983745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.983745 (E_RNA)
where:
Base-Base interactions energy: -124.053
where: short stacking energy: -55.495
Base-Backbone interact. energy: 0.683
local terms energy: -72.613365
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -12.406
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: 7, replica: 3
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -112.622973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.622973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.622973 (E_RNA)
where:
Base-Base interactions energy: -54.178
where: short stacking energy: -38.562
Base-Backbone interact. energy: -0.051
local terms energy: -58.393874
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -13.438
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: -8.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -123.269563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.269563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.269563 (E_RNA)
where:
Base-Base interactions energy: -69.727
where: short stacking energy: -43.003
Base-Backbone interact. energy: -0.333
local terms energy: -53.209093
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -18.088
flat angles C4'-P-C4' energy: -12.449
flat angles P-C4'-P energy: -4.938
tors. eta vs tors. theta energy: -4.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -78.253108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.253108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.253108 (E_RNA)
where:
Base-Base interactions energy: -29.847
where: short stacking energy: -28.655
Base-Backbone interact. energy: -0.897
local terms energy: -47.509249
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -9.501
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: 1.091
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: 9
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -85.415117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.415117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.415117 (E_RNA)
where:
Base-Base interactions energy: -30.699
where: short stacking energy: -27.336
Base-Backbone interact. energy: -0.372
local terms energy: -54.343703
where:
bonds (distance) C4'-P energy: -10.989
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -11.447
flat angles P-C4'-P energy: -9.261
tors. eta vs tors. theta energy: -6.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -225.088425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.088425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.088425 (E_RNA)
where:
Base-Base interactions energy: -150.655
where: short stacking energy: -74.489
Base-Backbone interact. energy: 0.353
local terms energy: -74.786934
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -9.258
tors. eta vs tors. theta energy: -21.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -230.672647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.672647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.672647 (E_RNA)
where:
Base-Base interactions energy: -151.987
where: short stacking energy: -73.860
Base-Backbone interact. energy: 0.165
local terms energy: -78.850464
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -13.586
flat angles C4'-P-C4' energy: -17.340
flat angles P-C4'-P energy: -13.921
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: 3, replica: 2
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -189.952152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.952152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.952152 (E_RNA)
where:
Base-Base interactions energy: -117.735
where: short stacking energy: -56.592
Base-Backbone interact. energy: -0.045
local terms energy: -72.172702
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -12.818
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -17.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -191.967951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.967951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.967951 (E_RNA)
where:
Base-Base interactions energy: -127.816
where: short stacking energy: -66.730
Base-Backbone interact. energy: -0.008
local terms energy: -64.143663
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -5.010
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: 5, replica: 4
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -197.319230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.319230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.319230 (E_RNA)
where:
Base-Base interactions energy: -130.731
where: short stacking energy: -67.904
Base-Backbone interact. energy: -0.259
local terms energy: -66.328932
where:
bonds (distance) C4'-P energy: -9.516
bonds (distance) P-C4' energy: -10.157
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -10.409
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: 6, replica: 8
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -209.394338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.394338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.394338 (E_RNA)
where:
Base-Base interactions energy: -136.875
where: short stacking energy: -68.570
Base-Backbone interact. energy: 1.592
local terms energy: -74.111537
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: -19.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -154.081371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.081371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.081371 (E_RNA)
where:
Base-Base interactions energy: -94.929
where: short stacking energy: -50.052
Base-Backbone interact. energy: -0.072
local terms energy: -59.080978
where:
bonds (distance) C4'-P energy: -5.595
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: -10.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -95.139850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.139850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.139850 (E_RNA)
where:
Base-Base interactions energy: -37.732
where: short stacking energy: -37.732
Base-Backbone interact. energy: -0.038
local terms energy: -57.369851
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -6.420
tors. eta vs tors. theta energy: -5.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -74.811678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.811678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.811678 (E_RNA)
where:
Base-Base interactions energy: -23.854
where: short stacking energy: -12.899
Base-Backbone interact. energy: -0.275
local terms energy: -50.683440
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -11.966
flat angles P-C4'-P energy: -11.967
tors. eta vs tors. theta energy: 0.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -81.681880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.681880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.681880 (E_RNA)
where:
Base-Base interactions energy: -36.922
where: short stacking energy: -20.809
Base-Backbone interact. energy: -0.251
local terms energy: -44.508712
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -8.334
flat angles P-C4'-P energy: -6.962
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: 5
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -222.569573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.569573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.569573 (E_RNA)
where:
Base-Base interactions energy: -150.905
where: short stacking energy: -72.469
Base-Backbone interact. energy: -0.001
local terms energy: -71.663670
where:
bonds (distance) C4'-P energy: -11.334
bonds (distance) P-C4' energy: -13.577
flat angles C4'-P-C4' energy: -17.222
flat angles P-C4'-P energy: -7.985
tors. eta vs tors. theta energy: -21.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -228.713900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.713900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.713900 (E_RNA)
where:
Base-Base interactions energy: -148.849
where: short stacking energy: -67.227
Base-Backbone interact. energy: -0.004
local terms energy: -79.861010
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: -21.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -188.561476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.561476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.561476 (E_RNA)
where:
Base-Base interactions energy: -123.622
where: short stacking energy: -49.409
Base-Backbone interact. energy: -0.665
local terms energy: -64.274468
where:
bonds (distance) C4'-P energy: -14.224
bonds (distance) P-C4' energy: -17.500
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -7.478
tors. eta vs tors. theta energy: -11.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -207.333311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.333311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.333311 (E_RNA)
where:
Base-Base interactions energy: -133.917
where: short stacking energy: -69.046
Base-Backbone interact. energy: -0.038
local terms energy: -73.378322
where:
bonds (distance) C4'-P energy: -14.696
bonds (distance) P-C4' energy: -12.127
flat angles C4'-P-C4' energy: -12.987
flat angles P-C4'-P energy: -12.524
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: 5, replica: 7
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -185.776281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.776281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.776281 (E_RNA)
where:
Base-Base interactions energy: -117.309
where: short stacking energy: -52.061
Base-Backbone interact. energy: -0.365
local terms energy: -68.102535
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -14.260
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -9.202
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: 6, replica: 8
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -191.640321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.640321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.640321 (E_RNA)
where:
Base-Base interactions energy: -125.548
where: short stacking energy: -65.753
Base-Backbone interact. energy: -0.950
local terms energy: -65.142739
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -11.209
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -8.741
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: 7, replica: 10
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -140.318558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.318558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.318558 (E_RNA)
where:
Base-Base interactions energy: -81.145
where: short stacking energy: -41.745
Base-Backbone interact. energy: -0.037
local terms energy: -59.137268
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -12.941
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -8.243
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: 8, replica: 9
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -83.653584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.653584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.653584 (E_RNA)
where:
Base-Base interactions energy: -37.599
where: short stacking energy: -29.394
Base-Backbone interact. energy: -0.087
local terms energy: -45.967429
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -12.206
flat angles C4'-P-C4' energy: -5.532
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: -2.156
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: 9, replica: 3
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -82.489054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.489054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.489054 (E_RNA)
where:
Base-Base interactions energy: -32.886
where: short stacking energy: -23.082
Base-Backbone interact. energy: -0.247
local terms energy: -49.355651
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -16.091
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -6.902
tors. eta vs tors. theta energy: -0.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -78.415471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.415471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.415471 (E_RNA)
where:
Base-Base interactions energy: -24.023
where: short stacking energy: -23.588
Base-Backbone interact. energy: -0.365
local terms energy: -54.026891
where:
bonds (distance) C4'-P energy: -15.008
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -11.601
flat angles P-C4'-P energy: -10.537
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: 1
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -225.946950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.946950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.946950 (E_RNA)
where:
Base-Base interactions energy: -147.347
where: short stacking energy: -64.247
Base-Backbone interact. energy: -0.685
local terms energy: -77.914518
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -10.776
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: 2, replica: 5
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -224.864432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.864432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.864432 (E_RNA)
where:
Base-Base interactions energy: -150.712
where: short stacking energy: -67.534
Base-Backbone interact. energy: -0.240
local terms energy: -73.912078
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -9.584
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: 3, replica: 4
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -224.904244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.904244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.904244 (E_RNA)
where:
Base-Base interactions energy: -148.562
where: short stacking energy: -76.572
Base-Backbone interact. energy: -0.005
local terms energy: -76.337238
where:
bonds (distance) C4'-P energy: -15.457
bonds (distance) P-C4' energy: -9.302
flat angles C4'-P-C4' energy: -18.140
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: -20.946
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: 2
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -186.646563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.646563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.646563 (E_RNA)
where:
Base-Base interactions energy: -117.383
where: short stacking energy: -47.840
Base-Backbone interact. energy: 0.264
local terms energy: -69.527999
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -11.966
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: 308
Temperature: 1.100000
Total energy: -205.443205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.443205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.443205 (E_RNA)
where:
Base-Base interactions energy: -139.847
where: short stacking energy: -62.865
Base-Backbone interact. energy: -0.320
local terms energy: -65.275848
where:
bonds (distance) C4'-P energy: -10.694
bonds (distance) P-C4' energy: -11.806
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: -16.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -180.841808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.841808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.841808 (E_RNA)
where:
Base-Base interactions energy: -114.900
where: short stacking energy: -53.632
Base-Backbone interact. energy: 0.201
local terms energy: -66.142238
where:
bonds (distance) C4'-P energy: -10.865
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -16.214
flat angles P-C4'-P energy: -8.721
tors. eta vs tors. theta energy: -12.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -93.267267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.267267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.267267 (E_RNA)
where:
Base-Base interactions energy: -30.716
where: short stacking energy: -30.716
Base-Backbone interact. energy: -0.005
local terms energy: -62.546891
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -12.745
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -8.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -130.448702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.448702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.448702 (E_RNA)
where:
Base-Base interactions energy: -71.851
where: short stacking energy: -43.493
Base-Backbone interact. energy: -0.004
local terms energy: -58.593310
where:
bonds (distance) C4'-P energy: -9.883
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -13.550
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -11.133
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: 6
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -85.104820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.104820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.104820 (E_RNA)
where:
Base-Base interactions energy: -37.302
where: short stacking energy: -35.573
Base-Backbone interact. energy: -0.056
local terms energy: -47.746986
where:
bonds (distance) C4'-P energy: -9.855
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -7.749
flat angles P-C4'-P energy: -6.868
tors. eta vs tors. theta energy: -8.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -72.179409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.179409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.179409 (E_RNA)
where:
Base-Base interactions energy: -20.868
where: short stacking energy: -20.868
Base-Backbone interact. energy: -0.052
local terms energy: -51.259563
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -18.365
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -4.156
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: 1, replica: 1
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -234.495907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.495907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.495907 (E_RNA)
where:
Base-Base interactions energy: -152.575
where: short stacking energy: -73.839
Base-Backbone interact. energy: -0.433
local terms energy: -81.487818
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: -22.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -229.210281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.210281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.210281 (E_RNA)
where:
Base-Base interactions energy: -150.004
where: short stacking energy: -73.364
Base-Backbone interact. energy: -0.001
local terms energy: -79.204370
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -17.817
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -21.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -223.435199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.435199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.435199 (E_RNA)
where:
Base-Base interactions energy: -145.765
where: short stacking energy: -67.496
Base-Backbone interact. energy: -0.077
local terms energy: -77.593791
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -12.952
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -13.999
tors. eta vs tors. theta energy: -22.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -212.131169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.131169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.131169 (E_RNA)
where:
Base-Base interactions energy: -138.347
where: short stacking energy: -62.248
Base-Backbone interact. energy: -0.028
local terms energy: -73.756199
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -14.108
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -11.629
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: 2
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -177.660983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.660983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.660983 (E_RNA)
where:
Base-Base interactions energy: -123.288
where: short stacking energy: -52.211
Base-Backbone interact. energy: -0.032
local terms energy: -54.341319
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -11.585
flat angles P-C4'-P energy: 0.256
tors. eta vs tors. theta energy: -12.567
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: 6, replica: 7
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -181.320538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.320538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.320538 (E_RNA)
where:
Base-Base interactions energy: -124.210
where: short stacking energy: -54.113
Base-Backbone interact. energy: -0.949
local terms energy: -56.161103
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -8.103
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -12.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -137.968867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.968867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.968867 (E_RNA)
where:
Base-Base interactions energy: -81.369
where: short stacking energy: -54.379
Base-Backbone interact. energy: -0.381
local terms energy: -56.218145
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -12.018
flat angles P-C4'-P energy: -4.566
tors. eta vs tors. theta energy: -10.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -119.066986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.066986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.066986 (E_RNA)
where:
Base-Base interactions energy: -63.187
where: short stacking energy: -33.949
Base-Backbone interact. energy: -0.406
local terms energy: -55.473935
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -5.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -80.876772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.876772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.876772 (E_RNA)
where:
Base-Base interactions energy: -40.607
where: short stacking energy: -26.104
Base-Backbone interact. energy: -0.208
local terms energy: -40.061342
where:
bonds (distance) C4'-P energy: -8.443
bonds (distance) P-C4' energy: -11.222
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -6.860
tors. eta vs tors. theta energy: 0.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -83.217283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.217283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.217283 (E_RNA)
where:
Base-Base interactions energy: -32.751
where: short stacking energy: -28.945
Base-Backbone interact. energy: -0.109
local terms energy: -50.357750
where:
bonds (distance) C4'-P energy: -16.860
bonds (distance) P-C4' energy: -7.453
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -6.657
tors. eta vs tors. theta energy: -5.064
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: 4
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -224.442460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.442460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.442460 (E_RNA)
where:
Base-Base interactions energy: -148.975
where: short stacking energy: -67.190
Base-Backbone interact. energy: -0.119
local terms energy: -75.348756
where:
bonds (distance) C4'-P energy: -17.303
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -17.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -225.642456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.642456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.642456 (E_RNA)
where:
Base-Base interactions energy: -150.682
where: short stacking energy: -72.942
Base-Backbone interact. energy: -0.014
local terms energy: -74.945785
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -8.682
tors. eta vs tors. theta energy: -22.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -223.684053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.684053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.684053 (E_RNA)
where:
Base-Base interactions energy: -151.572
where: short stacking energy: -69.557
Base-Backbone interact. energy: -0.047
local terms energy: -72.065479
where:
bonds (distance) C4'-P energy: -13.943
bonds (distance) P-C4' energy: -15.009
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -17.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -217.467387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.467387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.467387 (E_RNA)
where:
Base-Base interactions energy: -145.596
where: short stacking energy: -67.786
Base-Backbone interact. energy: -0.000
local terms energy: -71.871355
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -21.111
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: 7
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -187.370155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.370155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.370155 (E_RNA)
where:
Base-Base interactions energy: -118.054
where: short stacking energy: -56.028
Base-Backbone interact. energy: -0.388
local terms energy: -68.928190
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -15.607
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -15.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -190.675890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.675890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.675890 (E_RNA)
where:
Base-Base interactions energy: -130.329
where: short stacking energy: -39.673
Base-Backbone interact. energy: -0.090
local terms energy: -60.256481
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -6.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -139.282214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.282214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.282214 (E_RNA)
where:
Base-Base interactions energy: -75.105
where: short stacking energy: -39.383
Base-Backbone interact. energy: -0.403
local terms energy: -63.773820
where:
bonds (distance) C4'-P energy: -16.400
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -4.589
tors. eta vs tors. theta energy: -9.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -98.020056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.020056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.020056 (E_RNA)
where:
Base-Base interactions energy: -54.825
where: short stacking energy: -25.235
Base-Backbone interact. energy: 0.367
local terms energy: -43.561984
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -11.579
flat angles C4'-P-C4' energy: -6.235
flat angles P-C4'-P energy: -10.541
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: 9, replica: 3
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -85.365002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.365002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.365002 (E_RNA)
where:
Base-Base interactions energy: -33.114
where: short stacking energy: -33.114
Base-Backbone interact. energy: -0.151
local terms energy: -52.100210
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -12.911
flat angles P-C4'-P energy: -7.195
tors. eta vs tors. theta energy: -6.393
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: 6
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -72.187142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.187142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.187142 (E_RNA)
where:
Base-Base interactions energy: -26.228
where: short stacking energy: -19.843
Base-Backbone interact. energy: 0.455
local terms energy: -46.414829
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -10.683
flat angles P-C4'-P energy: -8.398
tors. eta vs tors. theta energy: 1.689
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: 4
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -227.493922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.493922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.493922 (E_RNA)
where:
Base-Base interactions energy: -143.226
where: short stacking energy: -69.153
Base-Backbone interact. energy: -0.005
local terms energy: -84.262828
where:
bonds (distance) C4'-P energy: -16.277
bonds (distance) P-C4' energy: -19.145
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -21.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -218.794324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.794324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.794324 (E_RNA)
where:
Base-Base interactions energy: -145.256
where: short stacking energy: -67.743
Base-Backbone interact. energy: 3.079
local terms energy: -76.617097
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -18.039
flat angles P-C4'-P energy: -9.061
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: 3, replica: 1
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -221.141369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.141369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.141369 (E_RNA)
where:
Base-Base interactions energy: -142.567
where: short stacking energy: -69.414
Base-Backbone interact. energy: -0.513
local terms energy: -78.061429
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -13.524
flat angles C4'-P-C4' energy: -17.424
flat angles P-C4'-P energy: -10.345
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: 5
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -221.153167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.153167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.153167 (E_RNA)
where:
Base-Base interactions energy: -142.441
where: short stacking energy: -70.040
Base-Backbone interact. energy: -0.003
local terms energy: -78.709346
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -20.088
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: 5, replica: 7
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -182.819638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.819638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.819638 (E_RNA)
where:
Base-Base interactions energy: -115.065
where: short stacking energy: -55.160
Base-Backbone interact. energy: -0.008
local terms energy: -67.746916
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -13.365
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -12.765
tors. eta vs tors. theta energy: -13.212
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: 2
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -174.284241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.284241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.284241 (E_RNA)
where:
Base-Base interactions energy: -112.452
where: short stacking energy: -52.799
Base-Backbone interact. energy: -0.018
local terms energy: -61.813569
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -9.679
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -11.282
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: 9
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -104.576116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.576116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.576116 (E_RNA)
where:
Base-Base interactions energy: -54.550
where: short stacking energy: -40.027
Base-Backbone interact. energy: -0.023
local terms energy: -50.003394
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -5.941
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -7.306
tors. eta vs tors. theta energy: -8.521
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: 3
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -91.530566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.530566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.530566 (E_RNA)
where:
Base-Base interactions energy: -43.465
where: short stacking energy: -43.465
Base-Backbone interact. energy: -0.316
local terms energy: -47.749149
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -6.172
flat angles P-C4'-P energy: -9.173
tors. eta vs tors. theta energy: -4.626
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: 10
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -92.721568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.721568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.721568 (E_RNA)
where:
Base-Base interactions energy: -45.510
where: short stacking energy: -35.065
Base-Backbone interact. energy: -0.267
local terms energy: -46.944080
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -10.773
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -6.383
tors. eta vs tors. theta energy: -3.360
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: 10, replica: 6
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -77.142389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.142389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.142389 (E_RNA)
where:
Base-Base interactions energy: -17.403
where: short stacking energy: -13.951
Base-Backbone interact. energy: -1.024
local terms energy: -58.715403
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -2.580
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: 1, replica: 8
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -233.549043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.549043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.549043 (E_RNA)
where:
Base-Base interactions energy: -153.402
where: short stacking energy: -78.804
Base-Backbone interact. energy: -0.021
local terms energy: -80.126911
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -15.799
flat angles C4'-P-C4' energy: -16.833
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -20.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -227.647938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.647938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.647938 (E_RNA)
where:
Base-Base interactions energy: -149.396
where: short stacking energy: -75.577
Base-Backbone interact. energy: 0.113
local terms energy: -78.365511
where:
bonds (distance) C4'-P energy: -10.447
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -12.155
tors. eta vs tors. theta energy: -22.373
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: 5
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -227.143156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.143156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.143156 (E_RNA)
where:
Base-Base interactions energy: -146.791
where: short stacking energy: -72.316
Base-Backbone interact. energy: -0.858
local terms energy: -79.493960
where:
bonds (distance) C4'-P energy: -17.372
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -20.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -205.991898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.991898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.991898 (E_RNA)
where:
Base-Base interactions energy: -143.385
where: short stacking energy: -65.670
Base-Backbone interact. energy: -0.031
local terms energy: -62.575776
where:
bonds (distance) C4'-P energy: -9.943
bonds (distance) P-C4' energy: -11.988
flat angles C4'-P-C4' energy: -12.853
flat angles P-C4'-P energy: -7.351
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: 5, replica: 2
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -190.023124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.023124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.023124 (E_RNA)
where:
Base-Base interactions energy: -130.196
where: short stacking energy: -65.430
Base-Backbone interact. energy: -0.705
local terms energy: -59.121783
where:
bonds (distance) C4'-P energy: -11.494
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: -11.808
flat angles P-C4'-P energy: -9.439
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: 7
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -171.502274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.502274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.502274 (E_RNA)
where:
Base-Base interactions energy: -113.974
where: short stacking energy: -50.051
Base-Backbone interact. energy: -0.103
local terms energy: -57.425513
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -10.888
flat angles C4'-P-C4' energy: -12.499
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -11.076
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: 3
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -102.409704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.409704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.409704 (E_RNA)
where:
Base-Base interactions energy: -48.926
where: short stacking energy: -33.139
Base-Backbone interact. energy: -0.492
local terms energy: -52.992051
where:
bonds (distance) C4'-P energy: -11.447
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -13.623
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: -7.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -99.233007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.233007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.233007 (E_RNA)
where:
Base-Base interactions energy: -55.603
where: short stacking energy: -40.259
Base-Backbone interact. energy: -0.692
local terms energy: -42.938307
where:
bonds (distance) C4'-P energy: -10.381
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -7.956
flat angles P-C4'-P energy: -4.737
tors. eta vs tors. theta energy: -2.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -85.643850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.643850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.643850 (E_RNA)
where:
Base-Base interactions energy: -35.547
where: short stacking energy: -34.998
Base-Backbone interact. energy: -0.159
local terms energy: -49.938028
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -14.637
flat angles C4'-P-C4' energy: -6.344
flat angles P-C4'-P energy: -8.534
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: 10, replica: 10
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -84.116327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.116327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.116327 (E_RNA)
where:
Base-Base interactions energy: -33.186
where: short stacking energy: -32.697
Base-Backbone interact. energy: -0.580
local terms energy: -50.350123
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -11.267
flat angles P-C4'-P energy: -8.025
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: 8
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -233.597448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.597448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.597448 (E_RNA)
where:
Base-Base interactions energy: -156.188
where: short stacking energy: -71.326
Base-Backbone interact. energy: -0.074
local terms energy: -77.335479
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -11.674
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -12.251
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: 2, replica: 5
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -225.709493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.709493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.709493 (E_RNA)
where:
Base-Base interactions energy: -148.534
where: short stacking energy: -73.632
Base-Backbone interact. energy: 0.554
local terms energy: -77.729305
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -17.127
flat angles P-C4'-P energy: -13.402
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: 4
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -229.207137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.207137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.207137 (E_RNA)
where:
Base-Base interactions energy: -148.145
where: short stacking energy: -78.987
Base-Backbone interact. energy: -0.000
local terms energy: -81.062207
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -12.882
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -12.670
tors. eta vs tors. theta energy: -21.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -210.096096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.096096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.096096 (E_RNA)
where:
Base-Base interactions energy: -144.548
where: short stacking energy: -67.540
Base-Backbone interact. energy: -0.313
local terms energy: -65.235129
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -8.003
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -19.317
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: 2
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -188.845522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.845522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.845522 (E_RNA)
where:
Base-Base interactions energy: -118.278
where: short stacking energy: -50.514
Base-Backbone interact. energy: -0.098
local terms energy: -70.469459
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -12.805
tors. eta vs tors. theta energy: -12.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -82.492959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.492959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.492959 (E_RNA)
where:
Base-Base interactions energy: -38.742
where: short stacking energy: -38.742
Base-Backbone interact. energy: -0.094
local terms energy: -43.657207
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -1.504
tors. eta vs tors. theta energy: -2.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -175.162752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.162752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.162752 (E_RNA)
where:
Base-Base interactions energy: -113.357
where: short stacking energy: -51.508
Base-Backbone interact. energy: -0.056
local terms energy: -61.750251
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -12.214
flat angles C4'-P-C4' energy: -16.579
flat angles P-C4'-P energy: -9.093
tors. eta vs tors. theta energy: -10.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -87.736009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.736009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.736009 (E_RNA)
where:
Base-Base interactions energy: -33.840
where: short stacking energy: -33.645
Base-Backbone interact. energy: -0.032
local terms energy: -53.864051
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -6.421
tors. eta vs tors. theta energy: -2.444
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: 313
Temperature: 1.300000
Total energy: -79.937674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.937674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.937674 (E_RNA)
where:
Base-Base interactions energy: -21.900
where: short stacking energy: -21.900
Base-Backbone interact. energy: -0.282
local terms energy: -57.755228
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: -5.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -72.107724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.107724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.107724 (E_RNA)
where:
Base-Base interactions energy: -18.881
where: short stacking energy: -18.881
Base-Backbone interact. energy: 0.080
local terms energy: -53.306846
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -7.882
tors. eta vs tors. theta energy: -0.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -225.424444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.424444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.424444 (E_RNA)
where:
Base-Base interactions energy: -152.708
where: short stacking energy: -72.582
Base-Backbone interact. energy: -0.050
local terms energy: -72.667084
where:
bonds (distance) C4'-P energy: -11.588
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -9.819
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: 8
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -229.616033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.616033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.616033 (E_RNA)
where:
Base-Base interactions energy: -158.656
where: short stacking energy: -77.210
Base-Backbone interact. energy: -0.048
local terms energy: -70.911889
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -10.028
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: 4
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -221.897230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.897230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.897230 (E_RNA)
where:
Base-Base interactions energy: -145.327
where: short stacking energy: -67.029
Base-Backbone interact. energy: -0.023
local terms energy: -76.547372
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -8.207
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -14.847
tors. eta vs tors. theta energy: -23.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -210.505987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.505987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.505987 (E_RNA)
where:
Base-Base interactions energy: -133.918
where: short stacking energy: -67.127
Base-Backbone interact. energy: -0.615
local terms energy: -75.973210
where:
bonds (distance) C4'-P energy: -16.348
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -9.208
tors. eta vs tors. theta energy: -19.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -182.198349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.198349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.198349 (E_RNA)
where:
Base-Base interactions energy: -116.606
where: short stacking energy: -58.198
Base-Backbone interact. energy: -0.157
local terms energy: -65.435279
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -6.305
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: 6, replica: 3
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -93.622181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.622181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.622181 (E_RNA)
where:
Base-Base interactions energy: -38.543
where: short stacking energy: -37.532
Base-Backbone interact. energy: -0.212
local terms energy: -54.866679
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -10.540
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -4.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -185.488988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.488988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.488988 (E_RNA)
where:
Base-Base interactions energy: -125.166
where: short stacking energy: -58.660
Base-Backbone interact. energy: -1.210
local terms energy: -59.112380
where:
bonds (distance) C4'-P energy: -11.237
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -2.080
tors. eta vs tors. theta energy: -14.563
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: 6
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -85.356266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.356266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.356266 (E_RNA)
where:
Base-Base interactions energy: -41.568
where: short stacking energy: -26.988
Base-Backbone interact. energy: -0.110
local terms energy: -43.678603
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -9.964
flat angles P-C4'-P energy: -6.289
tors. eta vs tors. theta energy: -1.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -92.272654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.272654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.272654 (E_RNA)
where:
Base-Base interactions energy: -48.762
where: short stacking energy: -18.566
Base-Backbone interact. energy: -0.226
local terms energy: -43.285079
where:
bonds (distance) C4'-P energy: -13.139
bonds (distance) P-C4' energy: -12.109
flat angles C4'-P-C4' energy: -9.719
flat angles P-C4'-P energy: -9.489
tors. eta vs tors. theta energy: 1.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -76.772971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.772971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.772971 (E_RNA)
where:
Base-Base interactions energy: -27.912
where: short stacking energy: -27.912
Base-Backbone interact. energy: -0.238
local terms energy: -48.623004
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -7.762
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: 5
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -239.409633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.409633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.409633 (E_RNA)
where:
Base-Base interactions energy: -156.931
where: short stacking energy: -71.652
Base-Backbone interact. energy: -0.013
local terms energy: -82.465701
where:
bonds (distance) C4'-P energy: -16.988
bonds (distance) P-C4' energy: -18.448
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -23.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -218.463730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.463730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.463730 (E_RNA)
where:
Base-Base interactions energy: -144.792
where: short stacking energy: -69.227
Base-Backbone interact. energy: -0.006
local terms energy: -73.665245
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -13.018
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -20.062
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: 8
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -213.632167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.632167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.632167 (E_RNA)
where:
Base-Base interactions energy: -143.129
where: short stacking energy: -68.610
Base-Backbone interact. energy: -0.619
local terms energy: -69.883987
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -14.677
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -15.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -213.861224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.861224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.861224 (E_RNA)
where:
Base-Base interactions energy: -143.440
where: short stacking energy: -62.945
Base-Backbone interact. energy: -0.002
local terms energy: -70.419788
where:
bonds (distance) C4'-P energy: -12.196
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -16.691
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: -17.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -187.319614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.319614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.319614 (E_RNA)
where:
Base-Base interactions energy: -118.840
where: short stacking energy: -61.858
Base-Backbone interact. energy: -0.013
local terms energy: -68.466664
where:
bonds (distance) C4'-P energy: -14.907
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -15.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -182.099680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.099680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.099680 (E_RNA)
where:
Base-Base interactions energy: -112.483
where: short stacking energy: -52.719
Base-Backbone interact. energy: -0.155
local terms energy: -69.461358
where:
bonds (distance) C4'-P energy: -14.373
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -16.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -84.703189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.703189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.703189 (E_RNA)
where:
Base-Base interactions energy: -39.806
where: short stacking energy: -30.751
Base-Backbone interact. energy: -0.387
local terms energy: -44.510106
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -12.628
flat angles C4'-P-C4' energy: -12.753
flat angles P-C4'-P energy: -7.513
tors. eta vs tors. theta energy: -0.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -92.947727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.947727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.947727 (E_RNA)
where:
Base-Base interactions energy: -43.972
where: short stacking energy: -42.698
Base-Backbone interact. energy: -0.068
local terms energy: -48.908203
where:
bonds (distance) C4'-P energy: -10.990
bonds (distance) P-C4' energy: -12.411
flat angles C4'-P-C4' energy: -11.798
flat angles P-C4'-P energy: -7.732
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: 6
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -81.763660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.763660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.763660 (E_RNA)
where:
Base-Base interactions energy: -37.535
where: short stacking energy: -25.235
Base-Backbone interact. energy: -0.483
local terms energy: -43.745710
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -11.249
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: 2.895
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: 10, replica: 9
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -80.029264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.029264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.029264 (E_RNA)
where:
Base-Base interactions energy: -35.761
where: short stacking energy: -35.761
Base-Backbone interact. energy: -0.216
local terms energy: -44.052184
where:
bonds (distance) C4'-P energy: -9.769
bonds (distance) P-C4' energy: -11.924
flat angles C4'-P-C4' energy: -8.533
flat angles P-C4'-P energy: -8.605
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: 4
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -222.355642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.355642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.355642 (E_RNA)
where:
Base-Base interactions energy: -146.186
where: short stacking energy: -70.057
Base-Backbone interact. energy: -0.074
local terms energy: -76.095517
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -10.821
flat angles C4'-P-C4' energy: -18.276
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -19.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -221.689514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.689514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.689514 (E_RNA)
where:
Base-Base interactions energy: -145.135
where: short stacking energy: -67.275
Base-Backbone interact. energy: -0.029
local terms energy: -76.525637
where:
bonds (distance) C4'-P energy: -9.710
bonds (distance) P-C4' energy: -18.135
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -12.695
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: 1
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -218.365780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.365780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.365780 (E_RNA)
where:
Base-Base interactions energy: -144.475
where: short stacking energy: -67.271
Base-Backbone interact. energy: -0.022
local terms energy: -73.868674
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -11.869
tors. eta vs tors. theta energy: -21.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -204.772176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.772176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.772176 (E_RNA)
where:
Base-Base interactions energy: -134.840
where: short stacking energy: -66.170
Base-Backbone interact. energy: -0.549
local terms energy: -69.383407
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -17.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -194.633739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.633739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.633739 (E_RNA)
where:
Base-Base interactions energy: -129.462
where: short stacking energy: -65.883
Base-Backbone interact. energy: -0.005
local terms energy: -65.166888
where:
bonds (distance) C4'-P energy: -10.844
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -9.312
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: 6, replica: 2
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -178.469058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.469058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.469058 (E_RNA)
where:
Base-Base interactions energy: -119.194
where: short stacking energy: -57.833
Base-Backbone interact. energy: -0.001
local terms energy: -59.273718
where:
bonds (distance) C4'-P energy: -9.350
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -12.347
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: 3
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -99.853687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.853687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.853687 (E_RNA)
where:
Base-Base interactions energy: -42.742
where: short stacking energy: -33.800
Base-Backbone interact. energy: -0.580
local terms energy: -56.531929
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -9.719
tors. eta vs tors. theta energy: -2.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -90.690840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.690840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.690840 (E_RNA)
where:
Base-Base interactions energy: -49.057
where: short stacking energy: -24.732
Base-Backbone interact. energy: 2.329
local terms energy: -43.962678
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -12.514
flat angles P-C4'-P energy: -0.549
tors. eta vs tors. theta energy: -3.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -77.229812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.229812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.229812 (E_RNA)
where:
Base-Base interactions energy: -30.257
where: short stacking energy: -25.542
Base-Backbone interact. energy: -0.024
local terms energy: -46.949436
where:
bonds (distance) C4'-P energy: -7.685
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -8.179
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: 10, replica: 6
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -85.736460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.736460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.736460 (E_RNA)
where:
Base-Base interactions energy: -39.644
where: short stacking energy: -38.141
Base-Backbone interact. energy: -0.017
local terms energy: -46.074781
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -2.364
flat angles C4'-P-C4' energy: -12.553
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -9.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -223.040227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.040227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.040227 (E_RNA)
where:
Base-Base interactions energy: -153.247
where: short stacking energy: -62.604
Base-Backbone interact. energy: -0.044
local terms energy: -69.749585
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -13.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -229.914148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.914148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.914148 (E_RNA)
where:
Base-Base interactions energy: -154.774
where: short stacking energy: -77.223
Base-Backbone interact. energy: -0.002
local terms energy: -75.137892
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -15.851
flat angles P-C4'-P energy: -13.919
tors. eta vs tors. theta energy: -18.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -190.965270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.965270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.965270 (E_RNA)
where:
Base-Base interactions energy: -117.908
where: short stacking energy: -52.622
Base-Backbone interact. energy: -0.307
local terms energy: -72.750184
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -15.199
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: 8
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -217.214924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.214924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.214924 (E_RNA)
where:
Base-Base interactions energy: -141.084
where: short stacking energy: -72.236
Base-Backbone interact. energy: -0.018
local terms energy: -76.112787
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -19.124
flat angles C4'-P-C4' energy: -15.631
flat angles P-C4'-P energy: -8.077
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: 5, replica: 7
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -184.486964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.486964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.486964 (E_RNA)
where:
Base-Base interactions energy: -113.677
where: short stacking energy: -56.843
Base-Backbone interact. energy: -0.094
local terms energy: -70.715757
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -9.255
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: 6, replica: 2
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -180.687362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.687362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.687362 (E_RNA)
where:
Base-Base interactions energy: -113.847
where: short stacking energy: -48.628
Base-Backbone interact. energy: -0.377
local terms energy: -66.463260
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -18.641
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -11.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -97.581427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.581427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.581427 (E_RNA)
where:
Base-Base interactions energy: -43.509
where: short stacking energy: -41.511
Base-Backbone interact. energy: -0.204
local terms energy: -53.868247
where:
bonds (distance) C4'-P energy: -8.361
bonds (distance) P-C4' energy: -12.705
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -7.114
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: 10
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -87.472784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.472784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.472784 (E_RNA)
where:
Base-Base interactions energy: -29.922
where: short stacking energy: -29.922
Base-Backbone interact. energy: -0.066
local terms energy: -57.484954
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -11.029
flat angles C4'-P-C4' energy: -14.041
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -7.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -79.217514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.217514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.217514 (E_RNA)
where:
Base-Base interactions energy: -31.793
where: short stacking energy: -24.838
Base-Backbone interact. energy: 0.722
local terms energy: -48.145850
where:
bonds (distance) C4'-P energy: -8.225
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -16.691
flat angles P-C4'-P energy: -5.973
tors. eta vs tors. theta energy: -1.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -89.240248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.240248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.240248 (E_RNA)
where:
Base-Base interactions energy: -37.462
where: short stacking energy: -30.508
Base-Backbone interact. energy: -0.322
local terms energy: -51.455496
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -12.966
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -7.574
tors. eta vs tors. theta energy: -4.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -231.661441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.661441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.661441 (E_RNA)
where:
Base-Base interactions energy: -153.900
where: short stacking energy: -77.266
Base-Backbone interact. energy: -0.291
local terms energy: -77.471152
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -16.541
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -8.097
tors. eta vs tors. theta energy: -22.608
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: 4
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -220.869447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.869447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.869447 (E_RNA)
where:
Base-Base interactions energy: -147.818
where: short stacking energy: -70.183
Base-Backbone interact. energy: -0.489
local terms energy: -72.562105
where:
bonds (distance) C4'-P energy: -11.413
bonds (distance) P-C4' energy: -14.245
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -20.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -210.406213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.406213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.406213 (E_RNA)
where:
Base-Base interactions energy: -131.549
where: short stacking energy: -69.107
Base-Backbone interact. energy: -0.009
local terms energy: -78.848078
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -21.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -192.796263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.796263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.796263 (E_RNA)
where:
Base-Base interactions energy: -121.061
where: short stacking energy: -46.399
Base-Backbone interact. energy: -2.076
local terms energy: -69.659379
where:
bonds (distance) C4'-P energy: -12.793
bonds (distance) P-C4' energy: -14.693
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -10.511
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: 318
Temperature: 1.100000
Total energy: -175.679365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.679365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.679365 (E_RNA)
where:
Base-Base interactions energy: -109.525
where: short stacking energy: -64.646
Base-Backbone interact. energy: -0.410
local terms energy: -65.744700
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -11.020
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: 7
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -174.726853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.726853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.726853 (E_RNA)
where:
Base-Base interactions energy: -106.450
where: short stacking energy: -48.281
Base-Backbone interact. energy: -0.002
local terms energy: -68.274877
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -14.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -100.539501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.539501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.539501 (E_RNA)
where:
Base-Base interactions energy: -49.448
where: short stacking energy: -35.833
Base-Backbone interact. energy: -0.031
local terms energy: -51.060182
where:
bonds (distance) C4'-P energy: -13.335
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -5.306
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: 8, replica: 3
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -80.825424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.825424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.825424 (E_RNA)
where:
Base-Base interactions energy: -39.085
where: short stacking energy: -25.908
Base-Backbone interact. energy: 0.245
local terms energy: -41.984511
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -9.994
flat angles P-C4'-P energy: -6.751
tors. eta vs tors. theta energy: 1.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -93.383998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.383998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.383998 (E_RNA)
where:
Base-Base interactions energy: -34.064
where: short stacking energy: -21.707
Base-Backbone interact. energy: 0.250
local terms energy: -59.569501
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -2.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -75.074524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.074524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.074524 (E_RNA)
where:
Base-Base interactions energy: -26.548
where: short stacking energy: -20.580
Base-Backbone interact. energy: -0.331
local terms energy: -48.195632
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -12.457
flat angles P-C4'-P energy: -9.150
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: 5
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -234.495538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.495538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.495538 (E_RNA)
where:
Base-Base interactions energy: -155.284
where: short stacking energy: -80.051
Base-Backbone interact. energy: -0.001
local terms energy: -79.210383
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -11.681
tors. eta vs tors. theta energy: -21.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -234.355795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.355795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.355795 (E_RNA)
where:
Base-Base interactions energy: -157.531
where: short stacking energy: -69.386
Base-Backbone interact. energy: -0.661
local terms energy: -76.164262
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -16.292
flat angles P-C4'-P energy: -11.680
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: 3, replica: 4
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -208.832834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.832834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.832834 (E_RNA)
where:
Base-Base interactions energy: -139.120
where: short stacking energy: -64.630
Base-Backbone interact. energy: -0.041
local terms energy: -69.671479
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -12.690
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -8.329
tors. eta vs tors. theta energy: -19.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -195.450039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.450039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.450039 (E_RNA)
where:
Base-Base interactions energy: -123.554
where: short stacking energy: -57.292
Base-Backbone interact. energy: -0.082
local terms energy: -71.814027
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -13.103
tors. eta vs tors. theta energy: -14.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -197.433519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.433519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.433519 (E_RNA)
where:
Base-Base interactions energy: -137.103
where: short stacking energy: -63.192
Base-Backbone interact. energy: -0.055
local terms energy: -60.275110
where:
bonds (distance) C4'-P energy: -8.985
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -1.089
tors. eta vs tors. theta energy: -21.693
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: 7
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -184.497889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.497889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.497889 (E_RNA)
where:
Base-Base interactions energy: -118.872
where: short stacking energy: -59.691
Base-Backbone interact. energy: -0.001
local terms energy: -65.625009
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -12.440
flat angles P-C4'-P energy: -8.556
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: 7, replica: 10
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -124.919226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.919226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.919226 (E_RNA)
where:
Base-Base interactions energy: -73.170
where: short stacking energy: -41.833
Base-Backbone interact. energy: -0.407
local terms energy: -51.342485
where:
bonds (distance) C4'-P energy: -12.296
bonds (distance) P-C4' energy: -9.182
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -11.099
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: 8, replica: 6
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -75.289187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.289187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.289187 (E_RNA)
where:
Base-Base interactions energy: -29.483
where: short stacking energy: -29.463
Base-Backbone interact. energy: -0.648
local terms energy: -45.157465
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -9.472
flat angles P-C4'-P energy: -8.542
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: 9, replica: 3
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -78.326485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.326485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.326485 (E_RNA)
where:
Base-Base interactions energy: -29.369
where: short stacking energy: -23.374
Base-Backbone interact. energy: -0.122
local terms energy: -48.836455
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: 4.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -82.986017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.986017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.986017 (E_RNA)
where:
Base-Base interactions energy: -28.482
where: short stacking energy: -26.716
Base-Backbone interact. energy: -0.107
local terms energy: -54.397003
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -10.078
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -3.937
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: 5
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -239.126621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.126621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.126621 (E_RNA)
where:
Base-Base interactions energy: -158.898
where: short stacking energy: -77.982
Base-Backbone interact. energy: -0.873
local terms energy: -79.355661
where:
bonds (distance) C4'-P energy: -15.906
bonds (distance) P-C4' energy: -12.551
flat angles C4'-P-C4' energy: -17.090
flat angles P-C4'-P energy: -11.710
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: 2, replica: 8
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -231.159159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.159159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.159159 (E_RNA)
where:
Base-Base interactions energy: -153.787
where: short stacking energy: -73.018
Base-Backbone interact. energy: -0.004
local terms energy: -77.367714
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -24.041
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: 320
Temperature: 1.000000
Total energy: -221.466251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.466251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.466251 (E_RNA)
where:
Base-Base interactions energy: -147.162
where: short stacking energy: -59.972
Base-Backbone interact. energy: -1.114
local terms energy: -73.189507
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -13.223
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -17.993
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: 320
Temperature: 1.050000
Total energy: -191.250740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.250740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.250740 (E_RNA)
where:
Base-Base interactions energy: -117.720
where: short stacking energy: -54.241
Base-Backbone interact. energy: -0.022
local terms energy: -73.508798
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -15.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -178.091738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.091738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.091738 (E_RNA)
where:
Base-Base interactions energy: -110.511
where: short stacking energy: -53.357
Base-Backbone interact. energy: 0.217
local terms energy: -67.797409
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -11.569
flat angles P-C4'-P energy: -12.710
tors. eta vs tors. theta energy: -14.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -204.761560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.761560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.761560 (E_RNA)
where:
Base-Base interactions energy: -138.958
where: short stacking energy: -66.030
Base-Backbone interact. energy: -0.469
local terms energy: -65.334340
where:
bonds (distance) C4'-P energy: -12.058
bonds (distance) P-C4' energy: -11.233
flat angles C4'-P-C4' energy: -18.216
flat angles P-C4'-P energy: -7.203
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: 7, replica: 10
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -127.645119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.645119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.645119 (E_RNA)
where:
Base-Base interactions energy: -76.214
where: short stacking energy: -34.434
Base-Backbone interact. energy: -0.681
local terms energy: -50.750516
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -7.676
tors. eta vs tors. theta energy: -4.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -90.924265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.924265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.924265 (E_RNA)
where:
Base-Base interactions energy: -38.775
where: short stacking energy: -28.831
Base-Backbone interact. energy: 0.141
local terms energy: -52.290618
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -10.653
flat angles C4'-P-C4' energy: -12.677
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -4.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -88.128065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.128065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.128065 (E_RNA)
where:
Base-Base interactions energy: -35.116
where: short stacking energy: -25.608
Base-Backbone interact. energy: -0.243
local terms energy: -52.769160
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -10.161
flat angles C4'-P-C4' energy: -13.625
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -5.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -74.176376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.176376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.176376 (E_RNA)
where:
Base-Base interactions energy: -29.397
where: short stacking energy: -28.572
Base-Backbone interact. energy: -0.010
local terms energy: -44.768914
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -7.527
flat angles P-C4'-P energy: -5.973
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: 1, replica: 5
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -228.042706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.042706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.042706 (E_RNA)
where:
Base-Base interactions energy: -149.149
where: short stacking energy: -72.706
Base-Backbone interact. energy: 0.589
local terms energy: -79.483425
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -8.879
tors. eta vs tors. theta energy: -22.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -225.721846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.721846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.721846 (E_RNA)
where:
Base-Base interactions energy: -155.135
where: short stacking energy: -68.893
Base-Backbone interact. energy: -0.030
local terms energy: -70.557564
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -6.547
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: 8
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -218.860604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.860604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.860604 (E_RNA)
where:
Base-Base interactions energy: -146.014
where: short stacking energy: -67.126
Base-Backbone interact. energy: -0.002
local terms energy: -72.844700
where:
bonds (distance) C4'-P energy: -10.976
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -10.273
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: 4, replica: 7
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -191.140137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.140137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.140137 (E_RNA)
where:
Base-Base interactions energy: -129.990
where: short stacking energy: -56.179
Base-Backbone interact. energy: -0.009
local terms energy: -61.141799
where:
bonds (distance) C4'-P energy: -10.865
bonds (distance) P-C4' energy: -13.185
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -7.335
tors. eta vs tors. theta energy: -16.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -205.341725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.341725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.341725 (E_RNA)
where:
Base-Base interactions energy: -143.678
where: short stacking energy: -57.749
Base-Backbone interact. energy: -0.285
local terms energy: -61.378802
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -4.455
tors. eta vs tors. theta energy: -14.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -209.509839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.509839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.509839 (E_RNA)
where:
Base-Base interactions energy: -135.324
where: short stacking energy: -68.377
Base-Backbone interact. energy: -0.008
local terms energy: -74.178412
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -21.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -131.736569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.736569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.736569 (E_RNA)
where:
Base-Base interactions energy: -85.638
where: short stacking energy: -42.327
Base-Backbone interact. energy: -0.068
local terms energy: -46.030082
where:
bonds (distance) C4'-P energy: -9.917
bonds (distance) P-C4' energy: -5.652
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -9.645
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: 8, replica: 9
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -88.061563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.061563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.061563 (E_RNA)
where:
Base-Base interactions energy: -32.906
where: short stacking energy: -28.498
Base-Backbone interact. energy: 3.182
local terms energy: -58.337689
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -11.024
flat angles P-C4'-P energy: -9.748
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: 9, replica: 6
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -91.111198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.111198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.111198 (E_RNA)
where:
Base-Base interactions energy: -39.016
where: short stacking energy: -34.895
Base-Backbone interact. energy: -0.206
local terms energy: -51.889091
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -10.093
flat angles C4'-P-C4' energy: -8.282
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -9.612
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: 3
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -67.140750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.140750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.140750 (E_RNA)
where:
Base-Base interactions energy: -23.918
where: short stacking energy: -9.339
Base-Backbone interact. energy: -0.291
local terms energy: -42.931969
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -5.648
tors. eta vs tors. theta energy: 2.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -229.556083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.556083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.556083 (E_RNA)
where:
Base-Base interactions energy: -156.314
where: short stacking energy: -68.618
Base-Backbone interact. energy: -0.048
local terms energy: -73.194470
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -16.091
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: -20.633
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: 2, replica: 5
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -225.589408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.589408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.589408 (E_RNA)
where:
Base-Base interactions energy: -151.321
where: short stacking energy: -72.149
Base-Backbone interact. energy: -0.003
local terms energy: -74.265782
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -15.366
flat angles P-C4'-P energy: -8.764
tors. eta vs tors. theta energy: -20.263
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: 3, replica: 8
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -221.538489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.538489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.538489 (E_RNA)
where:
Base-Base interactions energy: -138.250
where: short stacking energy: -67.741
Base-Backbone interact. energy: -0.000
local terms energy: -83.288713
where:
bonds (distance) C4'-P energy: -12.415
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -17.406
flat angles P-C4'-P energy: -13.364
tors. eta vs tors. theta energy: -23.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -187.488313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.488313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.488313 (E_RNA)
where:
Base-Base interactions energy: -120.393
where: short stacking energy: -46.579
Base-Backbone interact. energy: -0.330
local terms energy: -66.764872
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -13.205
flat angles P-C4'-P energy: -9.316
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: 5, replica: 1
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -208.687447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.687447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.687447 (E_RNA)
where:
Base-Base interactions energy: -137.283
where: short stacking energy: -62.131
Base-Backbone interact. energy: 0.021
local terms energy: -71.424871
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -16.613
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: 2
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -195.464252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.464252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.464252 (E_RNA)
where:
Base-Base interactions energy: -119.638
where: short stacking energy: -58.877
Base-Backbone interact. energy: -0.003
local terms energy: -75.823383
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -16.541
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -18.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -136.908119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.908119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.908119 (E_RNA)
where:
Base-Base interactions energy: -83.546
where: short stacking energy: -46.822
Base-Backbone interact. energy: -0.582
local terms energy: -52.779897
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -2.477
flat angles C4'-P-C4' energy: -15.515
flat angles P-C4'-P energy: -9.847
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: 8, replica: 9
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -92.659994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.659994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.659994 (E_RNA)
where:
Base-Base interactions energy: -34.444
where: short stacking energy: -28.216
Base-Backbone interact. energy: -0.142
local terms energy: -58.073448
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -13.015
flat angles P-C4'-P energy: -8.206
tors. eta vs tors. theta energy: -8.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -86.442352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.442352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.442352 (E_RNA)
where:
Base-Base interactions energy: -33.827
where: short stacking energy: -26.567
Base-Backbone interact. energy: 2.158
local terms energy: -54.774173
where:
bonds (distance) C4'-P energy: -12.362
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -12.254
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -5.504
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: 10, replica: 6
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -91.003260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.003260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.003260 (E_RNA)
where:
Base-Base interactions energy: -34.548
where: short stacking energy: -21.893
Base-Backbone interact. energy: 2.192
local terms energy: -58.647161
where:
bonds (distance) C4'-P energy: -11.110
bonds (distance) P-C4' energy: -16.738
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -13.311
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: 4
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -227.273801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.273801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.273801 (E_RNA)
where:
Base-Base interactions energy: -148.897
where: short stacking energy: -67.706
Base-Backbone interact. energy: -0.018
local terms energy: -78.359587
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -16.536
flat angles P-C4'-P energy: -11.233
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: 2, replica: 5
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -229.145832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.145832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.145832 (E_RNA)
where:
Base-Base interactions energy: -148.953
where: short stacking energy: -73.864
Base-Backbone interact. energy: -0.589
local terms energy: -79.603056
where:
bonds (distance) C4'-P energy: -12.244
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: -20.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -222.264148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.264148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.264148 (E_RNA)
where:
Base-Base interactions energy: -141.412
where: short stacking energy: -71.499
Base-Backbone interact. energy: -0.038
local terms energy: -80.814391
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -16.841
flat angles P-C4'-P energy: -10.609
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: 4, replica: 1
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -215.683056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.683056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.683056 (E_RNA)
where:
Base-Base interactions energy: -147.239
where: short stacking energy: -63.971
Base-Backbone interact. energy: -0.023
local terms energy: -68.421222
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -11.397
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -18.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -190.870101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.870101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.870101 (E_RNA)
where:
Base-Base interactions energy: -130.846
where: short stacking energy: -58.811
Base-Backbone interact. energy: -0.954
local terms energy: -59.070332
where:
bonds (distance) C4'-P energy: -11.110
bonds (distance) P-C4' energy: -9.006
flat angles C4'-P-C4' energy: -12.497
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -14.849
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: 2
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -166.497194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.497194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.497194 (E_RNA)
where:
Base-Base interactions energy: -103.155
where: short stacking energy: -59.280
Base-Backbone interact. energy: -0.019
local terms energy: -63.323157
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -10.744
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: -11.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -127.529068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.529068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.529068 (E_RNA)
where:
Base-Base interactions energy: -78.296
where: short stacking energy: -38.658
Base-Backbone interact. energy: -0.701
local terms energy: -48.532019
where:
bonds (distance) C4'-P energy: -8.853
bonds (distance) P-C4' energy: -12.208
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -8.777
tors. eta vs tors. theta energy: -5.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -79.960304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.960304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.960304 (E_RNA)
where:
Base-Base interactions energy: -24.973
where: short stacking energy: -20.445
Base-Backbone interact. energy: -0.146
local terms energy: -54.841069
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: 0.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -81.948537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.948537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.948537 (E_RNA)
where:
Base-Base interactions energy: -34.852
where: short stacking energy: -32.490
Base-Backbone interact. energy: -0.105
local terms energy: -46.991299
where:
bonds (distance) C4'-P energy: -10.336
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -12.262
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -2.053
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: 6
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -70.774871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.774871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.774871 (E_RNA)
where:
Base-Base interactions energy: -31.745
where: short stacking energy: -16.014
Base-Backbone interact. energy: -0.210
local terms energy: -38.819878
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -13.199
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -4.836
tors. eta vs tors. theta energy: 8.058
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: 4
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -226.365919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.365919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.365919 (E_RNA)
where:
Base-Base interactions energy: -150.526
where: short stacking energy: -72.303
Base-Backbone interact. energy: -0.001
local terms energy: -75.838619
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: -21.925
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: 5
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -232.008047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.008047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.008047 (E_RNA)
where:
Base-Base interactions energy: -152.049
where: short stacking energy: -77.501
Base-Backbone interact. energy: -0.414
local terms energy: -79.545265
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -11.806
flat angles C4'-P-C4' energy: -13.661
flat angles P-C4'-P energy: -15.324
tors. eta vs tors. theta energy: -24.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -222.970188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.970188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.970188 (E_RNA)
where:
Base-Base interactions energy: -146.880
where: short stacking energy: -70.669
Base-Backbone interact. energy: 0.247
local terms energy: -76.336456
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -9.191
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: 4, replica: 8
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -212.761649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.761649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.761649 (E_RNA)
where:
Base-Base interactions energy: -139.746
where: short stacking energy: -60.139
Base-Backbone interact. energy: -0.008
local terms energy: -73.008247
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -15.954
flat angles C4'-P-C4' energy: -11.321
flat angles P-C4'-P energy: -12.542
tors. eta vs tors. theta energy: -17.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -178.910446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.910446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.910446 (E_RNA)
where:
Base-Base interactions energy: -111.627
where: short stacking energy: -48.091
Base-Backbone interact. energy: -0.112
local terms energy: -67.171431
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -16.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -177.852030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.852030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.852030 (E_RNA)
where:
Base-Base interactions energy: -108.406
where: short stacking energy: -50.894
Base-Backbone interact. energy: -0.130
local terms energy: -69.315224
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -11.174
tors. eta vs tors. theta energy: -13.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -132.371353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.371353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.371353 (E_RNA)
where:
Base-Base interactions energy: -86.156
where: short stacking energy: -40.708
Base-Backbone interact. energy: -0.026
local terms energy: -46.189444
where:
bonds (distance) C4'-P energy: -12.429
bonds (distance) P-C4' energy: -10.301
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: 1.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -92.046537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.046537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.046537 (E_RNA)
where:
Base-Base interactions energy: -37.292
where: short stacking energy: -31.744
Base-Backbone interact. energy: -0.169
local terms energy: -54.585427
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -2.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -97.002391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.002391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.002391 (E_RNA)
where:
Base-Base interactions energy: -39.856
where: short stacking energy: -34.426
Base-Backbone interact. energy: -0.111
local terms energy: -57.036289
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -14.914
flat angles P-C4'-P energy: -6.315
tors. eta vs tors. theta energy: -5.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -72.296661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.296661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.296661 (E_RNA)
where:
Base-Base interactions energy: -20.802
where: short stacking energy: -17.723
Base-Backbone interact. energy: -0.355
local terms energy: -51.140589
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -14.068
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: 0.936
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: 4
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -229.520145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.520145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.520145 (E_RNA)
where:
Base-Base interactions energy: -146.240
where: short stacking energy: -77.332
Base-Backbone interact. energy: -0.447
local terms energy: -82.832856
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -22.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -218.417577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.417577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.417577 (E_RNA)
where:
Base-Base interactions energy: -147.159
where: short stacking energy: -65.717
Base-Backbone interact. energy: -0.002
local terms energy: -71.256298
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -12.790
flat angles P-C4'-P energy: -11.138
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: 3, replica: 1
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -227.545543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.545543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.545543 (E_RNA)
where:
Base-Base interactions energy: -152.419
where: short stacking energy: -73.223
Base-Backbone interact. energy: -0.022
local terms energy: -75.104334
where:
bonds (distance) C4'-P energy: -10.787
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -21.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -188.727044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.727044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.727044 (E_RNA)
where:
Base-Base interactions energy: -120.960
where: short stacking energy: -52.323
Base-Backbone interact. energy: -0.505
local terms energy: -67.261799
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -16.890
flat angles P-C4'-P energy: -7.411
tors. eta vs tors. theta energy: -13.315
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: 8
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -211.734731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.734731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.734731 (E_RNA)
where:
Base-Base interactions energy: -140.922
where: short stacking energy: -66.782
Base-Backbone interact. energy: -0.080
local terms energy: -70.732445
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -12.229
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -16.744
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: 10
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -147.499956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.499956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.499956 (E_RNA)
where:
Base-Base interactions energy: -84.063
where: short stacking energy: -49.188
Base-Backbone interact. energy: -0.089
local terms energy: -63.347568
where:
bonds (distance) C4'-P energy: -16.331
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -11.349
flat angles P-C4'-P energy: -10.682
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: 7, replica: 7
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -179.932225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.932225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.932225 (E_RNA)
where:
Base-Base interactions energy: -118.299
where: short stacking energy: -61.056
Base-Backbone interact. energy: -0.393
local terms energy: -61.240941
where:
bonds (distance) C4'-P energy: -10.543
bonds (distance) P-C4' energy: -7.373
flat angles C4'-P-C4' energy: -15.768
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -15.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -93.567036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.567036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.567036 (E_RNA)
where:
Base-Base interactions energy: -37.909
where: short stacking energy: -37.748
Base-Backbone interact. energy: -0.228
local terms energy: -55.430589
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -12.798
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: -4.444
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: 3
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -88.295258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.295258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.295258 (E_RNA)
where:
Base-Base interactions energy: -37.597
where: short stacking energy: -32.399
Base-Backbone interact. energy: -0.014
local terms energy: -50.684507
where:
bonds (distance) C4'-P energy: -10.908
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -8.544
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -5.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -81.423909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.423909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.423909 (E_RNA)
where:
Base-Base interactions energy: -42.187
where: short stacking energy: -41.632
Base-Backbone interact. energy: -0.064
local terms energy: -39.173351
where:
bonds (distance) C4'-P energy: -8.351
bonds (distance) P-C4' energy: -7.571
flat angles C4'-P-C4' energy: -11.883
flat angles P-C4'-P energy: -4.969
tors. eta vs tors. theta energy: -6.399
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: 1, replica: 4
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -234.899882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.899882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.899882 (E_RNA)
where:
Base-Base interactions energy: -157.930
where: short stacking energy: -79.412
Base-Backbone interact. energy: -0.009
local terms energy: -76.960530
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -18.046
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -21.001
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: 5
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -235.368458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.368458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.368458 (E_RNA)
where:
Base-Base interactions energy: -152.093
where: short stacking energy: -73.281
Base-Backbone interact. energy: -0.068
local terms energy: -83.208155
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -17.187
flat angles C4'-P-C4' energy: -17.636
flat angles P-C4'-P energy: -13.049
tors. eta vs tors. theta energy: -20.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -219.687937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.687937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.687937 (E_RNA)
where:
Base-Base interactions energy: -142.408
where: short stacking energy: -70.059
Base-Backbone interact. energy: -0.002
local terms energy: -77.278172
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -18.096
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -20.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -196.720722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.720722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.720722 (E_RNA)
where:
Base-Base interactions energy: -131.910
where: short stacking energy: -69.335
Base-Backbone interact. energy: -0.004
local terms energy: -64.806808
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -10.406
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: 5, replica: 8
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -212.405107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.405107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.405107 (E_RNA)
where:
Base-Base interactions energy: -146.770
where: short stacking energy: -75.582
Base-Backbone interact. energy: -0.575
local terms energy: -65.060485
where:
bonds (distance) C4'-P energy: -10.664
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -6.912
tors. eta vs tors. theta energy: -21.197
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: 10
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -153.624174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.624174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.624174 (E_RNA)
where:
Base-Base interactions energy: -85.923
where: short stacking energy: -52.313
Base-Backbone interact. energy: -0.056
local terms energy: -67.644571
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -12.474
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -14.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -176.457021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.457021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.457021 (E_RNA)
where:
Base-Base interactions energy: -110.825
where: short stacking energy: -45.661
Base-Backbone interact. energy: -1.005
local terms energy: -64.626831
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -14.190
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -11.417
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: 326
Temperature: 1.250000
Total energy: -99.007281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.007281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.007281 (E_RNA)
where:
Base-Base interactions energy: -45.408
where: short stacking energy: -45.408
Base-Backbone interact. energy: -0.124
local terms energy: -53.475153
where:
bonds (distance) C4'-P energy: -11.763
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -6.354
tors. eta vs tors. theta energy: -6.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -99.986630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.986630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.986630 (E_RNA)
where:
Base-Base interactions energy: -41.874
where: short stacking energy: -41.874
Base-Backbone interact. energy: -0.103
local terms energy: -58.009887
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -12.566
flat angles C4'-P-C4' energy: -10.548
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -10.384
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: 326
Temperature: 1.350000
Total energy: -75.380755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.380755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.380755 (E_RNA)
where:
Base-Base interactions energy: -30.085
where: short stacking energy: -28.957
Base-Backbone interact. energy: -0.085
local terms energy: -45.210442
where:
bonds (distance) C4'-P energy: -13.554
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -1.336
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -3.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -237.904300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.904300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.904300 (E_RNA)
where:
Base-Base interactions energy: -160.711
where: short stacking energy: -79.684
Base-Backbone interact. energy: 0.596
local terms energy: -77.789709
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -13.767
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -20.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -221.940935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.940935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.940935 (E_RNA)
where:
Base-Base interactions energy: -142.069
where: short stacking energy: -72.882
Base-Backbone interact. energy: -0.166
local terms energy: -79.705297
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -16.651
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -20.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -222.694168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.694168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.694168 (E_RNA)
where:
Base-Base interactions energy: -148.374
where: short stacking energy: -73.992
Base-Backbone interact. energy: -0.006
local terms energy: -74.314085
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -16.469
flat angles C4'-P-C4' energy: -12.341
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -20.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -197.204085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.204085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.204085 (E_RNA)
where:
Base-Base interactions energy: -122.897
where: short stacking energy: -60.110
Base-Backbone interact. energy: -0.002
local terms energy: -74.305448
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -11.167
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: 5, replica: 2
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -184.124283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.124283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.124283 (E_RNA)
where:
Base-Base interactions energy: -119.284
where: short stacking energy: -57.868
Base-Backbone interact. energy: -0.002
local terms energy: -64.837661
where:
bonds (distance) C4'-P energy: -13.302
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -7.924
tors. eta vs tors. theta energy: -14.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -176.225472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.225472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.225472 (E_RNA)
where:
Base-Base interactions energy: -109.229
where: short stacking energy: -43.546
Base-Backbone interact. energy: -0.046
local terms energy: -66.950057
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -13.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -144.856962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.856962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.856962 (E_RNA)
where:
Base-Base interactions energy: -79.078
where: short stacking energy: -48.282
Base-Backbone interact. energy: -0.050
local terms energy: -65.728967
where:
bonds (distance) C4'-P energy: -12.580
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -12.835
tors. eta vs tors. theta energy: -10.355
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: 3
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -94.584556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.584556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.584556 (E_RNA)
where:
Base-Base interactions energy: -35.795
where: short stacking energy: -26.394
Base-Backbone interact. energy: -0.071
local terms energy: -58.719167
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -9.459
flat angles P-C4'-P energy: -7.593
tors. eta vs tors. theta energy: -7.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -87.451317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.451317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.451317 (E_RNA)
where:
Base-Base interactions energy: -35.901
where: short stacking energy: -26.179
Base-Backbone interact. energy: -0.116
local terms energy: -51.434114
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -9.831
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -4.413
tors. eta vs tors. theta energy: -7.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -81.325846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.325846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.325846 (E_RNA)
where:
Base-Base interactions energy: -37.633
where: short stacking energy: -25.058
Base-Backbone interact. energy: -0.113
local terms energy: -43.579707
where:
bonds (distance) C4'-P energy: -15.627
bonds (distance) P-C4' energy: -10.998
flat angles C4'-P-C4' energy: -10.960
flat angles P-C4'-P energy: -4.930
tors. eta vs tors. theta energy: -1.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -223.113680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.113680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.113680 (E_RNA)
where:
Base-Base interactions energy: -145.277
where: short stacking energy: -74.198
Base-Backbone interact. energy: -0.001
local terms energy: -77.836090
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -10.491
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: 2, replica: 4
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -229.411239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.411239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.411239 (E_RNA)
where:
Base-Base interactions energy: -153.612
where: short stacking energy: -70.430
Base-Backbone interact. energy: -0.002
local terms energy: -75.797950
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -16.271
flat angles P-C4'-P energy: -9.018
tors. eta vs tors. theta energy: -21.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -216.869756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.869756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.869756 (E_RNA)
where:
Base-Base interactions energy: -147.494
where: short stacking energy: -68.740
Base-Backbone interact. energy: -0.181
local terms energy: -69.194726
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -12.147
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -19.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -208.120321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.120321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.120321 (E_RNA)
where:
Base-Base interactions energy: -134.174
where: short stacking energy: -63.599
Base-Backbone interact. energy: -0.034
local terms energy: -73.912235
where:
bonds (distance) C4'-P energy: -11.042
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -9.708
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: 5, replica: 2
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -191.837083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.837083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.837083 (E_RNA)
where:
Base-Base interactions energy: -122.431
where: short stacking energy: -60.880
Base-Backbone interact. energy: -0.003
local terms energy: -69.403165
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -11.918
flat angles P-C4'-P energy: -12.007
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: 6, replica: 7
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -184.619422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.619422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.619422 (E_RNA)
where:
Base-Base interactions energy: -131.819
where: short stacking energy: -52.676
Base-Backbone interact. energy: -0.018
local terms energy: -52.781838
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -10.496
flat angles P-C4'-P energy: -2.915
tors. eta vs tors. theta energy: -10.804
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: 10
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -132.226026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.226026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.226026 (E_RNA)
where:
Base-Base interactions energy: -73.667
where: short stacking energy: -39.162
Base-Backbone interact. energy: -0.598
local terms energy: -57.961755
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -11.204
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -6.194
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: 3
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -79.363039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.363039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.363039 (E_RNA)
where:
Base-Base interactions energy: -20.242
where: short stacking energy: -20.242
Base-Backbone interact. energy: -0.056
local terms energy: -59.065935
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -2.362
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: 6
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -86.606623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.606623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.606623 (E_RNA)
where:
Base-Base interactions energy: -31.620
where: short stacking energy: -28.525
Base-Backbone interact. energy: -0.071
local terms energy: -54.915920
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -6.651
tors. eta vs tors. theta energy: -4.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -89.858558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.858558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.858558 (E_RNA)
where:
Base-Base interactions energy: -45.957
where: short stacking energy: -27.809
Base-Backbone interact. energy: 0.227
local terms energy: -44.128415
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -11.062
flat angles C4'-P-C4' energy: -12.410
flat angles P-C4'-P energy: -5.793
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: 1
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -231.103751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.103751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.103751 (E_RNA)
where:
Base-Base interactions energy: -151.606
where: short stacking energy: -72.389
Base-Backbone interact. energy: -0.630
local terms energy: -78.867315
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -12.577
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: 2, replica: 4
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -225.929118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.929118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.929118 (E_RNA)
where:
Base-Base interactions energy: -148.255
where: short stacking energy: -71.167
Base-Backbone interact. energy: -0.001
local terms energy: -77.673943
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -20.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -223.742463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.742463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.742463 (E_RNA)
where:
Base-Base interactions energy: -151.122
where: short stacking energy: -69.472
Base-Backbone interact. energy: -0.253
local terms energy: -72.367488
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -18.271
flat angles P-C4'-P energy: -7.096
tors. eta vs tors. theta energy: -14.599
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: 5
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -209.257294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.257294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.257294 (E_RNA)
where:
Base-Base interactions energy: -144.097
where: short stacking energy: -66.775
Base-Backbone interact. energy: -0.176
local terms energy: -64.983452
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -11.442
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -12.950
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: 2
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -177.209361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.209361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.209361 (E_RNA)
where:
Base-Base interactions energy: -105.207
where: short stacking energy: -51.443
Base-Backbone interact. energy: -0.075
local terms energy: -71.927162
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -15.612
flat angles C4'-P-C4' energy: -17.108
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -13.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -174.447058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.447058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.447058 (E_RNA)
where:
Base-Base interactions energy: -119.913
where: short stacking energy: -52.556
Base-Backbone interact. energy: 2.714
local terms energy: -57.247299
where:
bonds (distance) C4'-P energy: -7.526
bonds (distance) P-C4' energy: -11.086
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -13.357
tors. eta vs tors. theta energy: -8.499
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: 10
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -146.461578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.461578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.461578 (E_RNA)
where:
Base-Base interactions energy: -94.544
where: short stacking energy: -46.702
Base-Backbone interact. energy: -0.358
local terms energy: -51.559609
where:
bonds (distance) C4'-P energy: -6.921
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -8.319
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: 8, replica: 6
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -124.937120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.937120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.937120 (E_RNA)
where:
Base-Base interactions energy: -74.668
where: short stacking energy: -37.319
Base-Backbone interact. energy: -0.132
local terms energy: -50.137585
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -6.827
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: 3
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -85.764038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.764038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.764038 (E_RNA)
where:
Base-Base interactions energy: -35.885
where: short stacking energy: -27.893
Base-Backbone interact. energy: -0.105
local terms energy: -49.774218
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -2.945
tors. eta vs tors. theta energy: -1.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -72.773920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.773920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.773920 (E_RNA)
where:
Base-Base interactions energy: -23.902
where: short stacking energy: -23.902
Base-Backbone interact. energy: -0.206
local terms energy: -48.665931
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -12.568
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: 3.422
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: 4
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -228.798169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.798169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.798169 (E_RNA)
where:
Base-Base interactions energy: -148.595
where: short stacking energy: -73.097
Base-Backbone interact. energy: 0.731
local terms energy: -80.934157
where:
bonds (distance) C4'-P energy: -13.115
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -16.895
flat angles P-C4'-P energy: -11.969
tors. eta vs tors. theta energy: -20.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -225.021788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.021788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.021788 (E_RNA)
where:
Base-Base interactions energy: -150.017
where: short stacking energy: -69.271
Base-Backbone interact. energy: -0.251
local terms energy: -74.754235
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -18.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -203.442519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.442519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.442519 (E_RNA)
where:
Base-Base interactions energy: -130.993
where: short stacking energy: -62.471
Base-Backbone interact. energy: -0.417
local terms energy: -72.032190
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -18.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -210.529712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.529712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.529712 (E_RNA)
where:
Base-Base interactions energy: -135.990
where: short stacking energy: -67.821
Base-Backbone interact. energy: -1.112
local terms energy: -73.427515
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -15.655
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -6.211
tors. eta vs tors. theta energy: -22.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -184.753290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.753290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.753290 (E_RNA)
where:
Base-Base interactions energy: -125.645
where: short stacking energy: -51.389
Base-Backbone interact. energy: -0.903
local terms energy: -58.205188
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -12.427
flat angles P-C4'-P energy: -7.268
tors. eta vs tors. theta energy: -11.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -185.356171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.356171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.356171 (E_RNA)
where:
Base-Base interactions energy: -122.310
where: short stacking energy: -50.655
Base-Backbone interact. energy: -0.236
local terms energy: -62.810940
where:
bonds (distance) C4'-P energy: -15.130
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -7.976
tors. eta vs tors. theta energy: -11.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -139.404163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.404163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.404163 (E_RNA)
where:
Base-Base interactions energy: -92.907
where: short stacking energy: -41.461
Base-Backbone interact. energy: -0.878
local terms energy: -45.619511
where:
bonds (distance) C4'-P energy: -1.035
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -4.496
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: 6
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -97.692261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.692261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.692261 (E_RNA)
where:
Base-Base interactions energy: -51.353
where: short stacking energy: -34.793
Base-Backbone interact. energy: 0.029
local terms energy: -46.367926
where:
bonds (distance) C4'-P energy: -10.078
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -5.749
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: 9, replica: 3
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -86.935919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.935919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.935919 (E_RNA)
where:
Base-Base interactions energy: -42.108
where: short stacking energy: -36.863
Base-Backbone interact. energy: 0.152
local terms energy: -44.980226
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -10.399
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -8.208
tors. eta vs tors. theta energy: -0.487
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: 9
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -86.012247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.012247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.012247 (E_RNA)
where:
Base-Base interactions energy: -36.914
where: short stacking energy: -27.269
Base-Backbone interact. energy: -0.275
local terms energy: -48.822807
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: 1.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -232.419974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.419974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.419974 (E_RNA)
where:
Base-Base interactions energy: -150.463
where: short stacking energy: -75.188
Base-Backbone interact. energy: -0.012
local terms energy: -81.945584
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -16.466
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -20.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -218.238535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.238535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.238535 (E_RNA)
where:
Base-Base interactions energy: -144.778
where: short stacking energy: -73.747
Base-Backbone interact. energy: -0.000
local terms energy: -73.460048
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -22.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -219.896375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.896375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.896375 (E_RNA)
where:
Base-Base interactions energy: -144.463
where: short stacking energy: -70.087
Base-Backbone interact. energy: -0.001
local terms energy: -75.432718
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -16.787
flat angles P-C4'-P energy: -6.622
tors. eta vs tors. theta energy: -22.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -217.248151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.248151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.248151 (E_RNA)
where:
Base-Base interactions energy: -144.214
where: short stacking energy: -73.850
Base-Backbone interact. energy: -0.018
local terms energy: -73.016136
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -12.805
tors. eta vs tors. theta energy: -18.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -186.491479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.491479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.491479 (E_RNA)
where:
Base-Base interactions energy: -128.635
where: short stacking energy: -49.969
Base-Backbone interact. energy: -0.139
local terms energy: -57.717860
where:
bonds (distance) C4'-P energy: -9.366
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -14.038
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -8.303
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: 7
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -177.080388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.080388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.080388 (E_RNA)
where:
Base-Base interactions energy: -112.423
where: short stacking energy: -54.068
Base-Backbone interact. energy: -0.006
local terms energy: -64.651552
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -8.698
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: 10
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -155.837570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.837570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.837570 (E_RNA)
where:
Base-Base interactions energy: -97.920
where: short stacking energy: -55.161
Base-Backbone interact. energy: -0.068
local terms energy: -57.848833
where:
bonds (distance) C4'-P energy: -7.517
bonds (distance) P-C4' energy: -11.114
flat angles C4'-P-C4' energy: -13.143
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -15.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -107.495274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.495274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.495274 (E_RNA)
where:
Base-Base interactions energy: -48.119
where: short stacking energy: -30.297
Base-Backbone interact. energy: -0.232
local terms energy: -59.144198
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -3.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -83.964555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.964555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.964555 (E_RNA)
where:
Base-Base interactions energy: -40.374
where: short stacking energy: -27.450
Base-Backbone interact. energy: 1.079
local terms energy: -44.669806
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -9.800
flat angles C4'-P-C4' energy: -10.374
flat angles P-C4'-P energy: -8.733
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: 9
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -96.687397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.687397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.687397 (E_RNA)
where:
Base-Base interactions energy: -32.579
where: short stacking energy: -32.579
Base-Backbone interact. energy: -0.110
local terms energy: -63.998335
where:
bonds (distance) C4'-P energy: -10.862
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -17.264
flat angles P-C4'-P energy: -7.638
tors. eta vs tors. theta energy: -10.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -217.848083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.848083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.848083 (E_RNA)
where:
Base-Base interactions energy: -149.020
where: short stacking energy: -62.035
Base-Backbone interact. energy: -0.025
local terms energy: -68.802976
where:
bonds (distance) C4'-P energy: -10.746
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -16.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -224.806496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.806496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.806496 (E_RNA)
where:
Base-Base interactions energy: -144.187
where: short stacking energy: -71.682
Base-Backbone interact. energy: -0.018
local terms energy: -80.601013
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -17.876
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -19.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -228.371220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.371220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.371220 (E_RNA)
where:
Base-Base interactions energy: -151.517
where: short stacking energy: -78.224
Base-Backbone interact. energy: -0.673
local terms energy: -76.181502
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -16.445
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: -19.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -218.519949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.519949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.519949 (E_RNA)
where:
Base-Base interactions energy: -136.686
where: short stacking energy: -68.088
Base-Backbone interact. energy: -0.361
local terms energy: -81.473557
where:
bonds (distance) C4'-P energy: -16.593
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -22.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -186.694993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.694993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.694993 (E_RNA)
where:
Base-Base interactions energy: -122.359
where: short stacking energy: -62.595
Base-Backbone interact. energy: -0.002
local terms energy: -64.334085
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -11.245
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -16.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -178.693357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.693357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.693357 (E_RNA)
where:
Base-Base interactions energy: -108.690
where: short stacking energy: -50.358
Base-Backbone interact. energy: -0.149
local terms energy: -69.854591
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -8.705
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: 7, replica: 10
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -133.892331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.892331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.892331 (E_RNA)
where:
Base-Base interactions energy: -78.117
where: short stacking energy: -51.963
Base-Backbone interact. energy: -0.071
local terms energy: -55.704501
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -8.165
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -4.442
tors. eta vs tors. theta energy: -14.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -90.120927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.120927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.120927 (E_RNA)
where:
Base-Base interactions energy: -44.488
where: short stacking energy: -44.357
Base-Backbone interact. energy: -0.209
local terms energy: -45.423547
where:
bonds (distance) C4'-P energy: -4.912
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -5.126
tors. eta vs tors. theta energy: -6.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -87.844370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.844370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.844370 (E_RNA)
where:
Base-Base interactions energy: -52.026
where: short stacking energy: -38.472
Base-Backbone interact. energy: -0.522
local terms energy: -35.296713
where:
bonds (distance) C4'-P energy: -5.015
bonds (distance) P-C4' energy: -8.310
flat angles C4'-P-C4' energy: -9.191
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -3.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -82.397493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.397493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.397493 (E_RNA)
where:
Base-Base interactions energy: -33.104
where: short stacking energy: -19.957
Base-Backbone interact. energy: -0.660
local terms energy: -48.633649
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -13.851
flat angles C4'-P-C4' energy: -9.391
flat angles P-C4'-P energy: -5.259
tors. eta vs tors. theta energy: -4.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -216.049279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.049279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.049279 (E_RNA)
where:
Base-Base interactions energy: -147.633
where: short stacking energy: -71.374
Base-Backbone interact. energy: -0.613
local terms energy: -67.804056
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -9.906
flat angles C4'-P-C4' energy: -16.298
flat angles P-C4'-P energy: -13.098
tors. eta vs tors. theta energy: -15.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -224.534501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.534501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.534501 (E_RNA)
where:
Base-Base interactions energy: -148.571
where: short stacking energy: -72.684
Base-Backbone interact. energy: -0.290
local terms energy: -75.674197
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -12.573
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -11.960
tors. eta vs tors. theta energy: -22.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -223.776513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.776513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.776513 (E_RNA)
where:
Base-Base interactions energy: -147.142
where: short stacking energy: -68.207
Base-Backbone interact. energy: -0.001
local terms energy: -76.634243
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -19.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -215.740300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.740300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.740300 (E_RNA)
where:
Base-Base interactions energy: -146.769
where: short stacking energy: -65.601
Base-Backbone interact. energy: -0.001
local terms energy: -68.970944
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -12.424
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -8.300
tors. eta vs tors. theta energy: -17.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -182.915253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.915253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.915253 (E_RNA)
where:
Base-Base interactions energy: -115.842
where: short stacking energy: -57.102
Base-Backbone interact. energy: -0.019
local terms energy: -67.054153
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -16.101
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -11.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -178.437655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.437655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.437655 (E_RNA)
where:
Base-Base interactions energy: -111.331
where: short stacking energy: -59.621
Base-Backbone interact. energy: 0.755
local terms energy: -67.862087
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: -15.588
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: 10
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -137.356730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.356730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.356730 (E_RNA)
where:
Base-Base interactions energy: -86.175
where: short stacking energy: -43.607
Base-Backbone interact. energy: -0.424
local terms energy: -50.757763
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -8.607
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -7.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -87.207924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.207924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.207924 (E_RNA)
where:
Base-Base interactions energy: -31.594
where: short stacking energy: -27.380
Base-Backbone interact. energy: -0.703
local terms energy: -54.910868
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -7.222
tors. eta vs tors. theta energy: -2.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -90.053772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.053772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.053772 (E_RNA)
where:
Base-Base interactions energy: -35.269
where: short stacking energy: -35.269
Base-Backbone interact. energy: -0.188
local terms energy: -54.597311
where:
bonds (distance) C4'-P energy: -9.487
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -15.495
flat angles P-C4'-P energy: -6.172
tors. eta vs tors. theta energy: -8.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -81.785790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.785790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.785790 (E_RNA)
where:
Base-Base interactions energy: -26.886
where: short stacking energy: -26.886
Base-Backbone interact. energy: -0.009
local terms energy: -54.891284
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -10.313
flat angles P-C4'-P energy: -6.971
tors. eta vs tors. theta energy: -8.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -232.749294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.749294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.749294 (E_RNA)
where:
Base-Base interactions energy: -155.253
where: short stacking energy: -79.664
Base-Backbone interact. energy: -0.165
local terms energy: -77.331216
where:
bonds (distance) C4'-P energy: -13.057
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -15.254
flat angles P-C4'-P energy: -10.999
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: 5
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -221.455749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.455749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.455749 (E_RNA)
where:
Base-Base interactions energy: -148.162
where: short stacking energy: -76.635
Base-Backbone interact. energy: 0.184
local terms energy: -73.477743
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -18.443
flat angles C4'-P-C4' energy: -17.082
flat angles P-C4'-P energy: -5.805
tors. eta vs tors. theta energy: -16.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -222.565448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.565448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.565448 (E_RNA)
where:
Base-Base interactions energy: -151.745
where: short stacking energy: -70.510
Base-Backbone interact. energy: -0.568
local terms energy: -70.252586
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -13.340
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -8.785
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: 4, replica: 1
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -225.044081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.044081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.044081 (E_RNA)
where:
Base-Base interactions energy: -151.797
where: short stacking energy: -71.474
Base-Backbone interact. energy: -0.092
local terms energy: -73.154808
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -12.721
flat angles C4'-P-C4' energy: -14.805
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -20.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -187.652674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.652674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.652674 (E_RNA)
where:
Base-Base interactions energy: -123.681
where: short stacking energy: -53.509
Base-Backbone interact. energy: -0.189
local terms energy: -63.782304
where:
bonds (distance) C4'-P energy: -10.903
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: -11.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -184.159391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.159391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.159391 (E_RNA)
where:
Base-Base interactions energy: -111.457
where: short stacking energy: -64.649
Base-Backbone interact. energy: -0.021
local terms energy: -72.681101
where:
bonds (distance) C4'-P energy: -11.365
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -13.995
tors. eta vs tors. theta energy: -16.233
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: 10
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -144.352532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.352532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.352532 (E_RNA)
where:
Base-Base interactions energy: -85.895
where: short stacking energy: -35.115
Base-Backbone interact. energy: -0.879
local terms energy: -57.579014
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -12.805
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -3.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -76.620268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.620268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.620268 (E_RNA)
where:
Base-Base interactions energy: -26.366
where: short stacking energy: -23.344
Base-Backbone interact. energy: 0.201
local terms energy: -50.454846
where:
bonds (distance) C4'-P energy: -14.473
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -9.663
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -0.605
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: 9, replica: 9
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -75.765636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.765636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.765636 (E_RNA)
where:
Base-Base interactions energy: -33.743
where: short stacking energy: -20.230
Base-Backbone interact. energy: -0.090
local terms energy: -41.933012
where:
bonds (distance) C4'-P energy: -8.108
bonds (distance) P-C4' energy: -9.827
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -10.156
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: 6
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -82.063155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.063155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.063155 (E_RNA)
where:
Base-Base interactions energy: -43.857
where: short stacking energy: -13.497
Base-Backbone interact. energy: -0.924
local terms energy: -37.281597
where:
bonds (distance) C4'-P energy: -7.138
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -9.435
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: 4.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -233.694459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.694459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.694459 (E_RNA)
where:
Base-Base interactions energy: -150.611
where: short stacking energy: -70.304
Base-Backbone interact. energy: -0.003
local terms energy: -83.080495
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -17.987
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -20.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -220.379227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.379227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.379227 (E_RNA)
where:
Base-Base interactions energy: -147.149
where: short stacking energy: -69.732
Base-Backbone interact. energy: -0.010
local terms energy: -73.219855
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -9.812
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: 3, replica: 5
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -216.325991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.325991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.325991 (E_RNA)
where:
Base-Base interactions energy: -139.523
where: short stacking energy: -66.174
Base-Backbone interact. energy: -0.001
local terms energy: -76.801794
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -9.374
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: 2
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -184.278566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.278566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.278566 (E_RNA)
where:
Base-Base interactions energy: -114.326
where: short stacking energy: -55.888
Base-Backbone interact. energy: -0.100
local terms energy: -69.852317
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -17.735
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: -17.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -218.010314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.010314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.010314 (E_RNA)
where:
Base-Base interactions energy: -144.389
where: short stacking energy: -77.800
Base-Backbone interact. energy: -0.071
local terms energy: -73.549811
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -9.530
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: 6, replica: 7
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -175.165763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.165763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.165763 (E_RNA)
where:
Base-Base interactions energy: -115.124
where: short stacking energy: -47.883
Base-Backbone interact. energy: -0.077
local terms energy: -59.963838
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -10.729
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -11.645
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: 10
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -133.480895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.480895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.480895 (E_RNA)
where:
Base-Base interactions energy: -77.091
where: short stacking energy: -47.139
Base-Backbone interact. energy: -0.019
local terms energy: -56.370878
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -9.872
flat angles P-C4'-P energy: -10.111
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: 8, replica: 9
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -105.742826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.742826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.742826 (E_RNA)
where:
Base-Base interactions energy: -43.774
where: short stacking energy: -43.774
Base-Backbone interact. energy: -0.143
local terms energy: -61.825474
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -11.786
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -11.032
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: 9, replica: 3
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -97.458042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.458042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.458042 (E_RNA)
where:
Base-Base interactions energy: -54.680
where: short stacking energy: -25.002
Base-Backbone interact. energy: -0.064
local terms energy: -42.713864
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -9.180
flat angles C4'-P-C4' energy: -11.529
flat angles P-C4'-P energy: -7.531
tors. eta vs tors. theta energy: -0.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -73.142811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.142811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.142811 (E_RNA)
where:
Base-Base interactions energy: -31.807
where: short stacking energy: -24.759
Base-Backbone interact. energy: -0.539
local terms energy: -40.797128
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -11.324
flat angles P-C4'-P energy: -7.044
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: 1, replica: 8
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -225.616625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.616625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.616625 (E_RNA)
where:
Base-Base interactions energy: -146.591
where: short stacking energy: -69.343
Base-Backbone interact. energy: -0.596
local terms energy: -78.430101
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -16.281
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -16.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -225.292902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.292902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.292902 (E_RNA)
where:
Base-Base interactions energy: -145.790
where: short stacking energy: -71.103
Base-Backbone interact. energy: -0.031
local terms energy: -79.471008
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -15.468
flat angles C4'-P-C4' energy: -17.297
flat angles P-C4'-P energy: -13.273
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: 3, replica: 5
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -215.607252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.607252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.607252 (E_RNA)
where:
Base-Base interactions energy: -138.275
where: short stacking energy: -69.396
Base-Backbone interact. energy: -0.009
local terms energy: -77.323011
where:
bonds (distance) C4'-P energy: -17.112
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -8.764
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: 4, replica: 2
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -192.729188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.729188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.729188 (E_RNA)
where:
Base-Base interactions energy: -126.808
where: short stacking energy: -59.416
Base-Backbone interact. energy: -0.006
local terms energy: -65.914879
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -12.108
flat angles P-C4'-P energy: -9.274
tors. eta vs tors. theta energy: -14.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -185.913563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.913563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.913563 (E_RNA)
where:
Base-Base interactions energy: -125.665
where: short stacking energy: -56.555
Base-Backbone interact. energy: -0.110
local terms energy: -60.138686
where:
bonds (distance) C4'-P energy: -9.026
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: -13.672
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: 1
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -185.878621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.878621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.878621 (E_RNA)
where:
Base-Base interactions energy: -123.946
where: short stacking energy: -57.200
Base-Backbone interact. energy: 0.649
local terms energy: -62.581944
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -11.399
tors. eta vs tors. theta energy: -11.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -134.854931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.854931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.854931 (E_RNA)
where:
Base-Base interactions energy: -81.646
where: short stacking energy: -39.671
Base-Backbone interact. energy: -1.142
local terms energy: -52.066919
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -13.223
flat angles C4'-P-C4' energy: -11.470
flat angles P-C4'-P energy: -8.821
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: 8, replica: 9
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -81.648056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.648056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.648056 (E_RNA)
where:
Base-Base interactions energy: -32.557
where: short stacking energy: -25.457
Base-Backbone interact. energy: -0.456
local terms energy: -48.634386
where:
bonds (distance) C4'-P energy: -11.055
bonds (distance) P-C4' energy: -9.271
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -14.068
tors. eta vs tors. theta energy: -0.256
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: 6
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -88.975507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.975507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.975507 (E_RNA)
where:
Base-Base interactions energy: -36.294
where: short stacking energy: -26.425
Base-Backbone interact. energy: -0.144
local terms energy: -52.536651
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -4.936
tors. eta vs tors. theta energy: -2.565
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: 336
Temperature: 1.350000
Total energy: -103.802744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.802744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.802744 (E_RNA)
where:
Base-Base interactions energy: -58.997
where: short stacking energy: -36.612
Base-Backbone interact. energy: -0.111
local terms energy: -44.694568
where:
bonds (distance) C4'-P energy: -6.687
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -3.520
tors. eta vs tors. theta energy: -4.621
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: 8
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -228.779860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.779860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.779860 (E_RNA)
where:
Base-Base interactions energy: -151.253
where: short stacking energy: -69.997
Base-Backbone interact. energy: -0.123
local terms energy: -77.403933
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -19.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -214.204436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.204436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.204436 (E_RNA)
where:
Base-Base interactions energy: -139.237
where: short stacking energy: -63.553
Base-Backbone interact. energy: 0.251
local terms energy: -75.218157
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: -19.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -223.979364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.979364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.979364 (E_RNA)
where:
Base-Base interactions energy: -153.046
where: short stacking energy: -71.712
Base-Backbone interact. energy: -0.004
local terms energy: -70.929626
where:
bonds (distance) C4'-P energy: -9.885
bonds (distance) P-C4' energy: -15.263
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -10.329
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: 4, replica: 2
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -194.482751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.482751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.482751 (E_RNA)
where:
Base-Base interactions energy: -127.602
where: short stacking energy: -62.436
Base-Backbone interact. energy: -0.046
local terms energy: -66.834529
where:
bonds (distance) C4'-P energy: -13.603
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -8.285
tors. eta vs tors. theta energy: -16.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -189.585712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.585712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.585712 (E_RNA)
where:
Base-Base interactions energy: -120.337
where: short stacking energy: -61.121
Base-Backbone interact. energy: -0.003
local terms energy: -69.246473
where:
bonds (distance) C4'-P energy: -12.261
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -16.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -193.561153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.561153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.561153 (E_RNA)
where:
Base-Base interactions energy: -139.810
where: short stacking energy: -61.781
Base-Backbone interact. energy: -0.810
local terms energy: -52.941892
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -10.628
flat angles C4'-P-C4' energy: -10.870
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: -10.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -121.477695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.477695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.477695 (E_RNA)
where:
Base-Base interactions energy: -66.907
where: short stacking energy: -34.306
Base-Backbone interact. energy: -0.230
local terms energy: -54.340004
where:
bonds (distance) C4'-P energy: -10.004
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -0.002
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: 6
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -94.263233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.263233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.263233 (E_RNA)
where:
Base-Base interactions energy: -42.912
where: short stacking energy: -29.877
Base-Backbone interact. energy: 1.337
local terms energy: -52.688451
where:
bonds (distance) C4'-P energy: -9.760
bonds (distance) P-C4' energy: -12.133
flat angles C4'-P-C4' energy: -12.674
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: -6.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -84.578949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.578949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.578949 (E_RNA)
where:
Base-Base interactions energy: -31.176
where: short stacking energy: -28.387
Base-Backbone interact. energy: -0.279
local terms energy: -53.123421
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -6.681
tors. eta vs tors. theta energy: -4.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -93.591345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.591345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.591345 (E_RNA)
where:
Base-Base interactions energy: -42.935
where: short stacking energy: -41.364
Base-Backbone interact. energy: -0.377
local terms energy: -50.279270
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -11.582
flat angles C4'-P-C4' energy: -8.390
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -9.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -230.742133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.742133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.742133 (E_RNA)
where:
Base-Base interactions energy: -148.410
where: short stacking energy: -77.146
Base-Backbone interact. energy: -0.039
local terms energy: -82.293114
where:
bonds (distance) C4'-P energy: -16.019
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -13.139
tors. eta vs tors. theta energy: -22.358
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: 5
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -223.891889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.891889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.891889 (E_RNA)
where:
Base-Base interactions energy: -148.584
where: short stacking energy: -72.204
Base-Backbone interact. energy: -0.062
local terms energy: -75.246248
where:
bonds (distance) C4'-P energy: -10.613
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -18.184
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -20.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -200.894514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.894514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.894514 (E_RNA)
where:
Base-Base interactions energy: -129.988
where: short stacking energy: -62.545
Base-Backbone interact. energy: -0.025
local terms energy: -70.881539
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: -15.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -189.532907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.532907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.532907 (E_RNA)
where:
Base-Base interactions energy: -124.926
where: short stacking energy: -63.934
Base-Backbone interact. energy: -0.215
local terms energy: -64.391578
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -13.087
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -12.987
tors. eta vs tors. theta energy: -15.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -178.958653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.958653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.958653 (E_RNA)
where:
Base-Base interactions energy: -117.078
where: short stacking energy: -58.563
Base-Backbone interact. energy: -0.003
local terms energy: -61.878147
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -10.226
flat angles P-C4'-P energy: -7.965
tors. eta vs tors. theta energy: -18.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -198.274655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.274655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.274655 (E_RNA)
where:
Base-Base interactions energy: -131.019
where: short stacking energy: -56.884
Base-Backbone interact. energy: 0.201
local terms energy: -67.456358
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -12.196
flat angles P-C4'-P energy: -11.600
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: 10
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -142.348765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.348765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.348765 (E_RNA)
where:
Base-Base interactions energy: -82.837
where: short stacking energy: -47.800
Base-Backbone interact. energy: -0.017
local terms energy: -59.494615
where:
bonds (distance) C4'-P energy: -9.869
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -5.467
tors. eta vs tors. theta energy: -11.683
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: 6
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -92.423679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.423679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.423679 (E_RNA)
where:
Base-Base interactions energy: -39.486
where: short stacking energy: -38.299
Base-Backbone interact. energy: -0.082
local terms energy: -52.855155
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -10.769
flat angles C4'-P-C4' energy: -12.009
flat angles P-C4'-P energy: -7.340
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: 9, replica: 3
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -75.017621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.017621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.017621 (E_RNA)
where:
Base-Base interactions energy: -25.416
where: short stacking energy: -25.416
Base-Backbone interact. energy: 0.410
local terms energy: -50.012101
where:
bonds (distance) C4'-P energy: -15.290
bonds (distance) P-C4' energy: -18.641
flat angles C4'-P-C4' energy: -11.669
flat angles P-C4'-P energy: -4.903
tors. eta vs tors. theta energy: 0.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -108.923169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.923169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.923169 (E_RNA)
where:
Base-Base interactions energy: -61.900
where: short stacking energy: -42.195
Base-Backbone interact. energy: -0.299
local terms energy: -46.723950
where:
bonds (distance) C4'-P energy: -9.088
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -4.826
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -8.260
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: 8
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -231.023931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.023931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.023931 (E_RNA)
where:
Base-Base interactions energy: -150.948
where: short stacking energy: -72.774
Base-Backbone interact. energy: -0.384
local terms energy: -79.691895
where:
bonds (distance) C4'-P energy: -15.991
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -17.264
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -21.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -230.369325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.369325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.369325 (E_RNA)
where:
Base-Base interactions energy: -146.321
where: short stacking energy: -72.276
Base-Backbone interact. energy: -0.581
local terms energy: -83.467150
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -17.294
flat angles P-C4'-P energy: -11.779
tors. eta vs tors. theta energy: -24.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -201.421000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.421000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.421000 (E_RNA)
where:
Base-Base interactions energy: -140.078
where: short stacking energy: -61.930
Base-Backbone interact. energy: 0.033
local terms energy: -61.375492
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -10.804
flat angles P-C4'-P energy: -8.061
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: 4, replica: 4
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -189.217676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.217676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.217676 (E_RNA)
where:
Base-Base interactions energy: -119.970
where: short stacking energy: -61.629
Base-Backbone interact. energy: -0.310
local terms energy: -68.937891
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -11.800
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -16.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -173.152834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.152834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.152834 (E_RNA)
where:
Base-Base interactions energy: -117.930
where: short stacking energy: -67.590
Base-Backbone interact. energy: -0.056
local terms energy: -55.167173
where:
bonds (distance) C4'-P energy: -8.207
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -6.380
tors. eta vs tors. theta energy: -11.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -166.795283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.795283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.795283 (E_RNA)
where:
Base-Base interactions energy: -116.101
where: short stacking energy: -60.786
Base-Backbone interact. energy: 0.029
local terms energy: -50.722440
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -5.129
flat angles P-C4'-P energy: -4.834
tors. eta vs tors. theta energy: -10.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -156.230493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.230493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.230493 (E_RNA)
where:
Base-Base interactions energy: -92.442
where: short stacking energy: -44.812
Base-Backbone interact. energy: -0.046
local terms energy: -63.742800
where:
bonds (distance) C4'-P energy: -11.494
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -7.425
tors. eta vs tors. theta energy: -13.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -104.835620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.835620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.835620 (E_RNA)
where:
Base-Base interactions energy: -46.924
where: short stacking energy: -38.497
Base-Backbone interact. energy: -0.135
local terms energy: -57.776822
where:
bonds (distance) C4'-P energy: -10.470
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -7.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -95.851228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.851228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.851228 (E_RNA)
where:
Base-Base interactions energy: -38.288
where: short stacking energy: -38.288
Base-Backbone interact. energy: -0.114
local terms energy: -57.448401
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -11.841
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -6.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -81.871114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.871114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.871114 (E_RNA)
where:
Base-Base interactions energy: -33.840
where: short stacking energy: -33.742
Base-Backbone interact. energy: -0.020
local terms energy: -48.011331
where:
bonds (distance) C4'-P energy: -9.449
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -5.368
tors. eta vs tors. theta energy: -5.223
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: 5
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -227.891061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.891061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.891061 (E_RNA)
where:
Base-Base interactions energy: -148.165
where: short stacking energy: -71.549
Base-Backbone interact. energy: -0.024
local terms energy: -79.702070
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -15.102
flat angles C4'-P-C4' energy: -17.515
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -20.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -220.426058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.426058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.426058 (E_RNA)
where:
Base-Base interactions energy: -141.129
where: short stacking energy: -66.263
Base-Backbone interact. energy: -0.005
local terms energy: -79.292159
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -14.602
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -21.695
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: 3, replica: 4
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -212.728205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.728205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.728205 (E_RNA)
where:
Base-Base interactions energy: -139.684
where: short stacking energy: -73.700
Base-Backbone interact. energy: -0.006
local terms energy: -73.037979
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -12.153
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -19.749
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: 340
Temperature: 1.050000
Total energy: -205.001369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.001369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.001369 (E_RNA)
where:
Base-Base interactions energy: -138.000
where: short stacking energy: -63.507
Base-Backbone interact. energy: -0.094
local terms energy: -66.907320
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -6.039
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: 5, replica: 1
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -203.693639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.693639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.693639 (E_RNA)
where:
Base-Base interactions energy: -144.990
where: short stacking energy: -64.473
Base-Backbone interact. energy: -0.468
local terms energy: -58.235380
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -11.799
flat angles P-C4'-P energy: -4.627
tors. eta vs tors. theta energy: -14.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -179.986679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.986679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.986679 (E_RNA)
where:
Base-Base interactions energy: -117.292
where: short stacking energy: -51.362
Base-Backbone interact. energy: -0.730
local terms energy: -61.964898
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -12.143
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -5.581
tors. eta vs tors. theta energy: -15.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -128.698741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.698741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.698741 (E_RNA)
where:
Base-Base interactions energy: -67.415
where: short stacking energy: -35.525
Base-Backbone interact. energy: -0.691
local terms energy: -60.593189
where:
bonds (distance) C4'-P energy: -13.911
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -3.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -105.988320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.988320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.988320 (E_RNA)
where:
Base-Base interactions energy: -47.925
where: short stacking energy: -35.912
Base-Backbone interact. energy: 0.933
local terms energy: -58.996004
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -6.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -81.723832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.723832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.723832 (E_RNA)
where:
Base-Base interactions energy: -29.591
where: short stacking energy: -29.791
Base-Backbone interact. energy: -0.010
local terms energy: -52.122651
where:
bonds (distance) C4'-P energy: -9.594
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -12.409
flat angles P-C4'-P energy: -10.977
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: 10, replica: 6
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -80.021676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.021676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.021676 (E_RNA)
where:
Base-Base interactions energy: -30.271
where: short stacking energy: -30.271
Base-Backbone interact. energy: 0.943
local terms energy: -50.692828
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -9.519
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -3.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -228.738921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.738921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.738921 (E_RNA)
where:
Base-Base interactions energy: -148.607
where: short stacking energy: -71.332
Base-Backbone interact. energy: -0.486
local terms energy: -79.646041
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -13.741
tors. eta vs tors. theta energy: -21.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -221.919379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.919379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.919379 (E_RNA)
where:
Base-Base interactions energy: -146.847
where: short stacking energy: -72.903
Base-Backbone interact. energy: -0.001
local terms energy: -75.070899
where:
bonds (distance) C4'-P energy: -14.017
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -19.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -221.859478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.859478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.859478 (E_RNA)
where:
Base-Base interactions energy: -143.424
where: short stacking energy: -69.076
Base-Backbone interact. energy: -0.001
local terms energy: -78.434589
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -11.867
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -22.885
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: 1
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -221.133804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.133804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.133804 (E_RNA)
where:
Base-Base interactions energy: -146.460
where: short stacking energy: -80.126
Base-Backbone interact. energy: -0.477
local terms energy: -74.196858
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -3.770
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: 2
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -188.066648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.066648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.066648 (E_RNA)
where:
Base-Base interactions energy: -121.761
where: short stacking energy: -61.453
Base-Backbone interact. energy: -0.001
local terms energy: -66.304969
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -16.848
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: 6, replica: 7
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -175.901506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.901506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.901506 (E_RNA)
where:
Base-Base interactions energy: -115.194
where: short stacking energy: -46.043
Base-Backbone interact. energy: -0.371
local terms energy: -60.336461
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -11.965
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -6.828
tors. eta vs tors. theta energy: -10.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -152.500190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.500190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.500190 (E_RNA)
where:
Base-Base interactions energy: -100.467
where: short stacking energy: -38.619
Base-Backbone interact. energy: -0.181
local terms energy: -51.852032
where:
bonds (distance) C4'-P energy: -9.715
bonds (distance) P-C4' energy: -15.912
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -3.562
tors. eta vs tors. theta energy: -8.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -93.046653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.046653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.046653 (E_RNA)
where:
Base-Base interactions energy: -50.525
where: short stacking energy: -31.480
Base-Backbone interact. energy: -0.132
local terms energy: -42.388932
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -8.508
flat angles C4'-P-C4' energy: -10.940
flat angles P-C4'-P energy: -5.672
tors. eta vs tors. theta energy: -5.340
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: 9, replica: 3
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -83.964560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.964560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.964560 (E_RNA)
where:
Base-Base interactions energy: -35.241
where: short stacking energy: -35.241
Base-Backbone interact. energy: -0.319
local terms energy: -48.404456
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -10.975
flat angles C4'-P-C4' energy: -9.595
flat angles P-C4'-P energy: -7.629
tors. eta vs tors. theta energy: -4.865
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: 6
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -68.294600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.294600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.294600 (E_RNA)
where:
Base-Base interactions energy: -29.729
where: short stacking energy: -19.353
Base-Backbone interact. energy: -0.167
local terms energy: -38.398793
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -13.241
flat angles P-C4'-P energy: -0.964
tors. eta vs tors. theta energy: 2.814
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: 4
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -234.432859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.432859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.432859 (E_RNA)
where:
Base-Base interactions energy: -161.128
where: short stacking energy: -79.740
Base-Backbone interact. energy: 0.329
local terms energy: -73.634104
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -15.640
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -10.584
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: 2, replica: 5
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -232.288519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.288519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.288519 (E_RNA)
where:
Base-Base interactions energy: -148.290
where: short stacking energy: -74.611
Base-Backbone interact. energy: -0.004
local terms energy: -83.994103
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -17.096
flat angles P-C4'-P energy: -14.906
tors. eta vs tors. theta energy: -21.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -209.347944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.347944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.347944 (E_RNA)
where:
Base-Base interactions energy: -134.098
where: short stacking energy: -77.697
Base-Backbone interact. energy: -0.123
local terms energy: -75.127611
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -18.011
flat angles P-C4'-P energy: -7.522
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: 4, replica: 8
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -204.586151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.586151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.586151 (E_RNA)
where:
Base-Base interactions energy: -131.404
where: short stacking energy: -64.875
Base-Backbone interact. energy: 0.813
local terms energy: -73.995491
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -14.053
flat angles C4'-P-C4' energy: -17.573
flat angles P-C4'-P energy: -11.524
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: 5, replica: 2
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -186.297471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.297471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.297471 (E_RNA)
where:
Base-Base interactions energy: -130.568
where: short stacking energy: -60.613
Base-Backbone interact. energy: -0.137
local terms energy: -55.591975
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -9.661
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -3.707
tors. eta vs tors. theta energy: -16.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -166.509809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.509809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.509809 (E_RNA)
where:
Base-Base interactions energy: -113.050
where: short stacking energy: -44.427
Base-Backbone interact. energy: -0.700
local terms energy: -52.759928
where:
bonds (distance) C4'-P energy: -9.612
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -5.429
tors. eta vs tors. theta energy: -8.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -89.677561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.677561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.677561 (E_RNA)
where:
Base-Base interactions energy: -34.961
where: short stacking energy: -30.087
Base-Backbone interact. energy: -0.163
local terms energy: -54.554353
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -17.123
flat angles C4'-P-C4' energy: -1.008
flat angles P-C4'-P energy: -11.480
tors. eta vs tors. theta energy: -9.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -130.723819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.723819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.723819 (E_RNA)
where:
Base-Base interactions energy: -89.988
where: short stacking energy: -33.770
Base-Backbone interact. energy: -0.482
local terms energy: -40.254220
where:
bonds (distance) C4'-P energy: -11.118
bonds (distance) P-C4' energy: -12.704
flat angles C4'-P-C4' energy: -12.281
flat angles P-C4'-P energy: -1.971
tors. eta vs tors. theta energy: -2.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -93.574239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.574239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.574239 (E_RNA)
where:
Base-Base interactions energy: -42.294
where: short stacking energy: -30.684
Base-Backbone interact. energy: -0.079
local terms energy: -51.200819
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -13.059
flat angles C4'-P-C4' energy: -9.374
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -2.869
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: 3
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -114.080210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.080210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.080210 (E_RNA)
where:
Base-Base interactions energy: -66.766
where: short stacking energy: -34.084
Base-Backbone interact. energy: -1.011
local terms energy: -46.302810
where:
bonds (distance) C4'-P energy: -8.999
bonds (distance) P-C4' energy: -11.630
flat angles C4'-P-C4' energy: -10.323
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: -7.312
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: 1, replica: 4
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -232.342964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.342964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.342964 (E_RNA)
where:
Base-Base interactions energy: -151.491
where: short stacking energy: -63.254
Base-Backbone interact. energy: -0.007
local terms energy: -80.845247
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -20.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -211.261460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.261460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.261460 (E_RNA)
where:
Base-Base interactions energy: -132.997
where: short stacking energy: -68.370
Base-Backbone interact. energy: -0.578
local terms energy: -77.686532
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -17.639
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -17.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -217.040928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.040928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.040928 (E_RNA)
where:
Base-Base interactions energy: -145.162
where: short stacking energy: -70.306
Base-Backbone interact. energy: -1.415
local terms energy: -70.464386
where:
bonds (distance) C4'-P energy: -11.456
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -13.307
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: 4, replica: 2
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -192.599475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.599475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.599475 (E_RNA)
where:
Base-Base interactions energy: -121.273
where: short stacking energy: -61.133
Base-Backbone interact. energy: -0.572
local terms energy: -70.754359
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -11.927
flat angles P-C4'-P energy: -12.356
tors. eta vs tors. theta energy: -17.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -201.203761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.203761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.203761 (E_RNA)
where:
Base-Base interactions energy: -137.755
where: short stacking energy: -62.893
Base-Backbone interact. energy: -0.162
local terms energy: -63.286666
where:
bonds (distance) C4'-P energy: -12.688
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -13.160
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -12.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -152.808695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.808695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.808695 (E_RNA)
where:
Base-Base interactions energy: -93.165
where: short stacking energy: -52.914
Base-Backbone interact. energy: -0.019
local terms energy: -59.623865
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -4.515
tors. eta vs tors. theta energy: -12.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -94.546556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.546556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.546556 (E_RNA)
where:
Base-Base interactions energy: -44.544
where: short stacking energy: -36.712
Base-Backbone interact. energy: -0.357
local terms energy: -49.644989
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -13.323
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: 0.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -124.038290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.038290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.038290 (E_RNA)
where:
Base-Base interactions energy: -74.221
where: short stacking energy: -35.178
Base-Backbone interact. energy: -0.115
local terms energy: -49.702557
where:
bonds (distance) C4'-P energy: -7.247
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -8.265
flat angles P-C4'-P energy: -7.951
tors. eta vs tors. theta energy: -10.781
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: 6
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -89.481924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.481924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.481924 (E_RNA)
where:
Base-Base interactions energy: -36.023
where: short stacking energy: -24.604
Base-Backbone interact. energy: -0.778
local terms energy: -52.680598
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -11.742
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -2.295
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: 343
Temperature: 1.350000
Total energy: -85.104856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.104856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.104856 (E_RNA)
where:
Base-Base interactions energy: -41.357
where: short stacking energy: -41.757
Base-Backbone interact. energy: -0.018
local terms energy: -43.729737
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -11.031
flat angles C4'-P-C4' energy: -11.483
flat angles P-C4'-P energy: -3.995
tors. eta vs tors. theta energy: -5.639
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: 1, replica: 4
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -226.929697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.929697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.929697 (E_RNA)
where:
Base-Base interactions energy: -153.154
where: short stacking energy: -72.786
Base-Backbone interact. energy: -0.280
local terms energy: -73.495552
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -12.003
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -8.972
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: 1
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -222.319801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.319801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.319801 (E_RNA)
where:
Base-Base interactions energy: -149.930
where: short stacking energy: -73.278
Base-Backbone interact. energy: -0.613
local terms energy: -71.777659
where:
bonds (distance) C4'-P energy: -9.531
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -22.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -195.784018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.784018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.784018 (E_RNA)
where:
Base-Base interactions energy: -126.764
where: short stacking energy: -66.037
Base-Backbone interact. energy: 0.176
local terms energy: -69.195758
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -12.141
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -8.686
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: 4, replica: 5
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -223.054957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.054957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.054957 (E_RNA)
where:
Base-Base interactions energy: -143.060
where: short stacking energy: -65.898
Base-Backbone interact. energy: -0.055
local terms energy: -79.940458
where:
bonds (distance) C4'-P energy: -15.894
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -21.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -194.850337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.850337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.850337 (E_RNA)
where:
Base-Base interactions energy: -125.299
where: short stacking energy: -64.221
Base-Backbone interact. energy: -0.071
local terms energy: -69.479731
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -8.787
tors. eta vs tors. theta energy: -16.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -163.359756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.359756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.359756 (E_RNA)
where:
Base-Base interactions energy: -105.962
where: short stacking energy: -49.133
Base-Backbone interact. energy: -0.041
local terms energy: -57.356625
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -12.510
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -12.100
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: 10
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -121.126476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.126476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.126476 (E_RNA)
where:
Base-Base interactions energy: -66.186
where: short stacking energy: -30.350
Base-Backbone interact. energy: 1.066
local terms energy: -56.006384
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -12.062
flat angles P-C4'-P energy: -6.693
tors. eta vs tors. theta energy: -4.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -94.543886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.543886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.543886 (E_RNA)
where:
Base-Base interactions energy: -45.046
where: short stacking energy: -34.796
Base-Backbone interact. energy: -0.141
local terms energy: -49.357142
where:
bonds (distance) C4'-P energy: -8.542
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: -7.133
tors. eta vs tors. theta energy: -3.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -76.639180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.639180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.639180 (E_RNA)
where:
Base-Base interactions energy: -33.133
where: short stacking energy: -26.555
Base-Backbone interact. energy: -0.096
local terms energy: -43.410231
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -11.914
flat angles P-C4'-P energy: -1.421
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: 10, replica: 3
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -84.134892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.134892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.134892 (E_RNA)
where:
Base-Base interactions energy: -43.976
where: short stacking energy: -24.663
Base-Backbone interact. energy: -0.675
local terms energy: -39.483274
where:
bonds (distance) C4'-P energy: -9.717
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -7.184
flat angles P-C4'-P energy: -7.379
tors. eta vs tors. theta energy: -1.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -235.319918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.319918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.319918 (E_RNA)
where:
Base-Base interactions energy: -157.361
where: short stacking energy: -80.844
Base-Backbone interact. energy: 0.026
local terms energy: -77.984486
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -7.061
tors. eta vs tors. theta energy: -22.289
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: 2
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -203.571406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.571406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.571406 (E_RNA)
where:
Base-Base interactions energy: -140.093
where: short stacking energy: -68.165
Base-Backbone interact. energy: -0.371
local terms energy: -63.108028
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -5.122
tors. eta vs tors. theta energy: -14.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -221.537905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.537905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.537905 (E_RNA)
where:
Base-Base interactions energy: -149.812
where: short stacking energy: -66.532
Base-Backbone interact. energy: -0.049
local terms energy: -71.677398
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -11.915
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -8.692
tors. eta vs tors. theta energy: -22.255
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: 5
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -222.796100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.796100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.796100 (E_RNA)
where:
Base-Base interactions energy: -153.124
where: short stacking energy: -71.314
Base-Backbone interact. energy: -0.002
local terms energy: -69.670299
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -3.160
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: 5, replica: 8
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -186.612644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.612644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.612644 (E_RNA)
where:
Base-Base interactions energy: -123.248
where: short stacking energy: -61.910
Base-Backbone interact. energy: -0.007
local terms energy: -63.356817
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -13.967
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -1.971
tors. eta vs tors. theta energy: -16.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -175.361562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.361562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.361562 (E_RNA)
where:
Base-Base interactions energy: -115.064
where: short stacking energy: -57.384
Base-Backbone interact. energy: -0.005
local terms energy: -60.292010
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -8.613
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -8.807
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: 10
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -127.068812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.068812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.068812 (E_RNA)
where:
Base-Base interactions energy: -72.546
where: short stacking energy: -42.484
Base-Backbone interact. energy: -0.202
local terms energy: -54.320260
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -11.727
flat angles P-C4'-P energy: -10.236
tors. eta vs tors. theta energy: -6.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -86.952642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.952642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.952642 (E_RNA)
where:
Base-Base interactions energy: -37.634
where: short stacking energy: -29.722
Base-Backbone interact. energy: 1.060
local terms energy: -50.377886
where:
bonds (distance) C4'-P energy: -9.028
bonds (distance) P-C4' energy: -17.926
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -6.306
tors. eta vs tors. theta energy: -3.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -93.502777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.502777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.502777 (E_RNA)
where:
Base-Base interactions energy: -37.705
where: short stacking energy: -25.277
Base-Backbone interact. energy: -0.137
local terms energy: -55.660694
where:
bonds (distance) C4'-P energy: -15.509
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -8.480
tors. eta vs tors. theta energy: 1.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -86.920911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.920911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.920911 (E_RNA)
where:
Base-Base interactions energy: -50.930
where: short stacking energy: -23.188
Base-Backbone interact. energy: -0.403
local terms energy: -35.587891
where:
bonds (distance) C4'-P energy: -8.912
bonds (distance) P-C4' energy: -6.374
flat angles C4'-P-C4' energy: -11.275
flat angles P-C4'-P energy: -7.156
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: 4
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -233.699021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.699021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.699021 (E_RNA)
where:
Base-Base interactions energy: -156.301
where: short stacking energy: -76.502
Base-Backbone interact. energy: -0.169
local terms energy: -77.228992
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -12.406
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: 2, replica: 2
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -205.472160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.472160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.472160 (E_RNA)
where:
Base-Base interactions energy: -136.080
where: short stacking energy: -62.555
Base-Backbone interact. energy: -0.009
local terms energy: -69.383310
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -12.043
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -18.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -225.471763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.471763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.471763 (E_RNA)
where:
Base-Base interactions energy: -145.680
where: short stacking energy: -66.423
Base-Backbone interact. energy: -0.003
local terms energy: -79.789240
where:
bonds (distance) C4'-P energy: -17.534
bonds (distance) P-C4' energy: -8.406
flat angles C4'-P-C4' energy: -17.998
flat angles P-C4'-P energy: -14.953
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: 4, replica: 1
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -221.363390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.363390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.363390 (E_RNA)
where:
Base-Base interactions energy: -143.665
where: short stacking energy: -62.088
Base-Backbone interact. energy: -0.021
local terms energy: -77.677932
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -15.359
flat angles C4'-P-C4' energy: -18.104
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -20.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -181.506816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.506816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.506816 (E_RNA)
where:
Base-Base interactions energy: -118.086
where: short stacking energy: -56.529
Base-Backbone interact. energy: -0.176
local terms energy: -63.245320
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -13.313
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: -14.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -200.626200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.626200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.626200 (E_RNA)
where:
Base-Base interactions energy: -126.415
where: short stacking energy: -53.057
Base-Backbone interact. energy: -0.457
local terms energy: -73.754029
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -10.880
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: 7, replica: 10
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -136.520531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.520531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.520531 (E_RNA)
where:
Base-Base interactions energy: -77.854
where: short stacking energy: -41.829
Base-Backbone interact. energy: -0.108
local terms energy: -58.558366
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -6.628
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: 8, replica: 6
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -85.884015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.884015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.884015 (E_RNA)
where:
Base-Base interactions energy: -31.814
where: short stacking energy: -29.320
Base-Backbone interact. energy: 1.208
local terms energy: -55.278389
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -9.140
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -10.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -79.079019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.079019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.079019 (E_RNA)
where:
Base-Base interactions energy: -33.636
where: short stacking energy: -18.139
Base-Backbone interact. energy: 0.335
local terms energy: -45.777814
where:
bonds (distance) C4'-P energy: -16.176
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -3.533
tors. eta vs tors. theta energy: 3.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -84.536172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.536172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.536172 (E_RNA)
where:
Base-Base interactions energy: -33.483
where: short stacking energy: -30.377
Base-Backbone interact. energy: -0.056
local terms energy: -50.997095
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -10.847
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -7.291
tors. eta vs tors. theta energy: -3.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -233.113999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.113999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.113999 (E_RNA)
where:
Base-Base interactions energy: -151.019
where: short stacking energy: -67.148
Base-Backbone interact. energy: -0.157
local terms energy: -81.938326
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -17.040
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -10.972
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: 2, replica: 5
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -226.658548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.658548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.658548 (E_RNA)
where:
Base-Base interactions energy: -148.404
where: short stacking energy: -71.896
Base-Backbone interact. energy: -0.007
local terms energy: -78.247517
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -8.690
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: 2
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -184.899891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.899891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.899891 (E_RNA)
where:
Base-Base interactions energy: -117.553
where: short stacking energy: -58.633
Base-Backbone interact. energy: 0.027
local terms energy: -67.373466
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -18.258
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -3.304
tors. eta vs tors. theta energy: -15.286
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: 1
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -218.544997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.544997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.544997 (E_RNA)
where:
Base-Base interactions energy: -143.747
where: short stacking energy: -69.174
Base-Backbone interact. energy: -0.212
local terms energy: -74.585569
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -17.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -186.017751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.017751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.017751 (E_RNA)
where:
Base-Base interactions energy: -123.222
where: short stacking energy: -57.848
Base-Backbone interact. energy: -0.020
local terms energy: -62.776135
where:
bonds (distance) C4'-P energy: -8.436
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -17.512
flat angles P-C4'-P energy: -7.443
tors. eta vs tors. theta energy: -14.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -199.587325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.587325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.587325 (E_RNA)
where:
Base-Base interactions energy: -132.104
where: short stacking energy: -56.149
Base-Backbone interact. energy: -0.011
local terms energy: -67.472442
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -15.580
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: -19.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -153.676404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.676404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.676404 (E_RNA)
where:
Base-Base interactions energy: -94.632
where: short stacking energy: -57.596
Base-Backbone interact. energy: 1.082
local terms energy: -60.125845
where:
bonds (distance) C4'-P energy: -10.191
bonds (distance) P-C4' energy: -12.062
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -13.767
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: 8, replica: 9
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -98.559800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.559800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.559800 (E_RNA)
where:
Base-Base interactions energy: -45.434
where: short stacking energy: -42.671
Base-Backbone interact. energy: -0.214
local terms energy: -52.912361
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -11.705
flat angles C4'-P-C4' energy: -8.433
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -9.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -90.221427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.221427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.221427 (E_RNA)
where:
Base-Base interactions energy: -42.337
where: short stacking energy: -16.627
Base-Backbone interact. energy: -0.183
local terms energy: -47.701040
where:
bonds (distance) C4'-P energy: -13.454
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -10.248
flat angles P-C4'-P energy: -6.457
tors. eta vs tors. theta energy: -0.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -81.456323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.456323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.456323 (E_RNA)
where:
Base-Base interactions energy: -31.609
where: short stacking energy: -31.609
Base-Backbone interact. energy: -0.015
local terms energy: -49.832305
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -11.564
flat angles P-C4'-P energy: -0.110
tors. eta vs tors. theta energy: -6.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -229.970348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.970348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.970348 (E_RNA)
where:
Base-Base interactions energy: -158.117
where: short stacking energy: -68.323
Base-Backbone interact. energy: -0.575
local terms energy: -71.279122
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -12.160
flat angles C4'-P-C4' energy: -12.785
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -20.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -224.139926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.139926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.139926 (E_RNA)
where:
Base-Base interactions energy: -152.975
where: short stacking energy: -79.348
Base-Backbone interact. energy: -0.586
local terms energy: -70.578703
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -14.587
flat angles C4'-P-C4' energy: -12.263
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: -20.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -216.631792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.631792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.631792 (E_RNA)
where:
Base-Base interactions energy: -149.493
where: short stacking energy: -65.997
Base-Backbone interact. energy: -0.102
local terms energy: -67.037515
where:
bonds (distance) C4'-P energy: -8.635
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -19.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -181.239404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.239404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.239404 (E_RNA)
where:
Base-Base interactions energy: -111.260
where: short stacking energy: -51.273
Base-Backbone interact. energy: -0.206
local terms energy: -69.773084
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -7.671
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: 5, replica: 7
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -181.583991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.583991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.583991 (E_RNA)
where:
Base-Base interactions energy: -116.417
where: short stacking energy: -41.578
Base-Backbone interact. energy: -0.093
local terms energy: -65.073722
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -16.898
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: -10.597
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: 6, replica: 8
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -149.896201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.896201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.896201 (E_RNA)
where:
Base-Base interactions energy: -90.766
where: short stacking energy: -48.378
Base-Backbone interact. energy: -0.120
local terms energy: -59.010162
where:
bonds (distance) C4'-P energy: -9.594
bonds (distance) P-C4' energy: -13.591
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -10.984
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: 7, replica: 10
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -134.375787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.375787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.375787 (E_RNA)
where:
Base-Base interactions energy: -81.713
where: short stacking energy: -45.398
Base-Backbone interact. energy: -0.734
local terms energy: -51.928775
where:
bonds (distance) C4'-P energy: -13.389
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -4.553
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -8.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -87.043405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.043405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.043405 (E_RNA)
where:
Base-Base interactions energy: -32.636
where: short stacking energy: -32.636
Base-Backbone interact. energy: -0.014
local terms energy: -54.393041
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -13.379
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: -5.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -79.870315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.870315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.870315 (E_RNA)
where:
Base-Base interactions energy: -35.467
where: short stacking energy: -34.744
Base-Backbone interact. energy: -0.494
local terms energy: -43.909870
where:
bonds (distance) C4'-P energy: -8.436
bonds (distance) P-C4' energy: -11.808
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: -2.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -81.210953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.210953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.210953 (E_RNA)
where:
Base-Base interactions energy: -34.264
where: short stacking energy: -34.264
Base-Backbone interact. energy: -0.070
local terms energy: -46.877610
where:
bonds (distance) C4'-P energy: -5.188
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -7.425
tors. eta vs tors. theta energy: -3.372
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: 4
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -227.335175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.335175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.335175 (E_RNA)
where:
Base-Base interactions energy: -156.440
where: short stacking energy: -70.432
Base-Backbone interact. energy: -0.013
local terms energy: -70.882017
where:
bonds (distance) C4'-P energy: -14.423
bonds (distance) P-C4' energy: -11.544
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -7.444
tors. eta vs tors. theta energy: -22.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -225.330488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.330488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.330488 (E_RNA)
where:
Base-Base interactions energy: -147.096
where: short stacking energy: -66.621
Base-Backbone interact. energy: -0.032
local terms energy: -78.202505
where:
bonds (distance) C4'-P energy: -14.085
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -13.039
tors. eta vs tors. theta energy: -18.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -225.344754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.344754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.344754 (E_RNA)
where:
Base-Base interactions energy: -143.527
where: short stacking energy: -69.748
Base-Backbone interact. energy: -0.095
local terms energy: -81.722248
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -18.203
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -22.174
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: 4, replica: 7
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -184.246920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.246920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.246920 (E_RNA)
where:
Base-Base interactions energy: -130.197
where: short stacking energy: -49.212
Base-Backbone interact. energy: -0.028
local terms energy: -54.022158
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: 0.490
tors. eta vs tors. theta energy: -12.159
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: 2
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -190.465370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.465370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.465370 (E_RNA)
where:
Base-Base interactions energy: -121.016
where: short stacking energy: -49.865
Base-Backbone interact. energy: -0.128
local terms energy: -69.320593
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -17.542
flat angles P-C4'-P energy: -8.300
tors. eta vs tors. theta energy: -13.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -137.625883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.625883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.625883 (E_RNA)
where:
Base-Base interactions energy: -82.417
where: short stacking energy: -44.874
Base-Backbone interact. energy: -0.288
local terms energy: -54.921702
where:
bonds (distance) C4'-P energy: -7.086
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -16.275
flat angles P-C4'-P energy: -11.837
tors. eta vs tors. theta energy: -5.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -123.065028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.065028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.065028 (E_RNA)
where:
Base-Base interactions energy: -68.957
where: short stacking energy: -38.309
Base-Backbone interact. energy: -0.249
local terms energy: -53.858117
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -6.416
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -7.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -88.953742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.953742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.953742 (E_RNA)
where:
Base-Base interactions energy: -39.153
where: short stacking energy: -28.422
Base-Backbone interact. energy: -0.093
local terms energy: -49.707312
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -10.709
flat angles P-C4'-P energy: -4.614
tors. eta vs tors. theta energy: -2.079
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: 349
Temperature: 1.300000
Total energy: -77.701110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.701110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.701110 (E_RNA)
where:
Base-Base interactions energy: -22.161
where: short stacking energy: -22.161
Base-Backbone interact. energy: 0.063
local terms energy: -55.603611
where:
bonds (distance) C4'-P energy: -9.386
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -17.056
flat angles P-C4'-P energy: -11.047
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: 10, replica: 3
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -83.724389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.724389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.724389 (E_RNA)
where:
Base-Base interactions energy: -32.761
where: short stacking energy: -32.761
Base-Backbone interact. energy: -0.549
local terms energy: -50.414648
where:
bonds (distance) C4'-P energy: -9.222
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -15.471
flat angles P-C4'-P energy: -6.403
tors. eta vs tors. theta energy: -5.513
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: 4
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -233.821113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.821113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.821113 (E_RNA)
where:
Base-Base interactions energy: -152.059
where: short stacking energy: -71.477
Base-Backbone interact. energy: -0.000
local terms energy: -81.761617
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -12.111
tors. eta vs tors. theta energy: -21.541
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: 1
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -223.492409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.492409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.492409 (E_RNA)
where:
Base-Base interactions energy: -145.517
where: short stacking energy: -60.150
Base-Backbone interact. energy: -0.664
local terms energy: -77.311027
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -20.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -218.775531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.775531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.775531 (E_RNA)
where:
Base-Base interactions energy: -149.972
where: short stacking energy: -62.057
Base-Backbone interact. energy: -0.615
local terms energy: -68.187909
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -13.330
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -6.883
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: 4, replica: 5
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -199.857694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.857694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.857694 (E_RNA)
where:
Base-Base interactions energy: -138.599
where: short stacking energy: -64.888
Base-Backbone interact. energy: -0.877
local terms energy: -60.382133
where:
bonds (distance) C4'-P energy: -11.196
bonds (distance) P-C4' energy: -12.012
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -8.891
tors. eta vs tors. theta energy: -14.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -179.171306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.171306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.171306 (E_RNA)
where:
Base-Base interactions energy: -112.306
where: short stacking energy: -53.335
Base-Backbone interact. energy: -0.011
local terms energy: -66.854024
where:
bonds (distance) C4'-P energy: -9.602
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -14.891
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: 10
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -140.149634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.149634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.149634 (E_RNA)
where:
Base-Base interactions energy: -83.984
where: short stacking energy: -36.227
Base-Backbone interact. energy: -0.072
local terms energy: -56.094250
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -12.587
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -3.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -115.970224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.970224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.970224 (E_RNA)
where:
Base-Base interactions energy: -52.884
where: short stacking energy: -40.786
Base-Backbone interact. energy: -0.559
local terms energy: -62.527535
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -10.943
tors. eta vs tors. theta energy: -7.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -122.271879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.271879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.271879 (E_RNA)
where:
Base-Base interactions energy: -68.660
where: short stacking energy: -36.742
Base-Backbone interact. energy: -0.183
local terms energy: -53.428549
where:
bonds (distance) C4'-P energy: -10.530
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -7.560
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: 3
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -88.171891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.171891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.171891 (E_RNA)
where:
Base-Base interactions energy: -36.601
where: short stacking energy: -36.601
Base-Backbone interact. energy: -0.080
local terms energy: -51.491279
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -8.144
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -4.424
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: 9
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -83.505480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.505480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.505480 (E_RNA)
where:
Base-Base interactions energy: -33.365
where: short stacking energy: -30.113
Base-Backbone interact. energy: -0.208
local terms energy: -49.931966
where:
bonds (distance) C4'-P energy: -7.954
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -11.156
flat angles P-C4'-P energy: -7.953
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: 4
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -225.718257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.718257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.718257 (E_RNA)
where:
Base-Base interactions energy: -151.381
where: short stacking energy: -64.645
Base-Backbone interact. energy: -0.083
local terms energy: -74.254254
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -18.044
flat angles P-C4'-P energy: -7.326
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: 2, replica: 1
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -217.972137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.972137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.972137 (E_RNA)
where:
Base-Base interactions energy: -142.795
where: short stacking energy: -66.037
Base-Backbone interact. energy: -0.033
local terms energy: -75.144874
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -15.639
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: -18.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -197.958147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.958147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.958147 (E_RNA)
where:
Base-Base interactions energy: -133.937
where: short stacking energy: -69.246
Base-Backbone interact. energy: -0.003
local terms energy: -64.018264
where:
bonds (distance) C4'-P energy: -11.241
bonds (distance) P-C4' energy: -12.571
flat angles C4'-P-C4' energy: -13.620
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -16.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -189.639328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.639328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.639328 (E_RNA)
where:
Base-Base interactions energy: -122.566
where: short stacking energy: -62.458
Base-Backbone interact. energy: -0.019
local terms energy: -67.054340
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: -12.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -184.915779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.915779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.915779 (E_RNA)
where:
Base-Base interactions energy: -117.059
where: short stacking energy: -59.486
Base-Backbone interact. energy: -0.005
local terms energy: -67.851449
where:
bonds (distance) C4'-P energy: -14.892
bonds (distance) P-C4' energy: -11.894
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -15.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -148.376716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.376716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.376716 (E_RNA)
where:
Base-Base interactions energy: -91.568
where: short stacking energy: -46.521
Base-Backbone interact. energy: -0.432
local terms energy: -56.376742
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -11.833
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -9.185
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: 6
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -127.727347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.727347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.727347 (E_RNA)
where:
Base-Base interactions energy: -73.314
where: short stacking energy: -44.264
Base-Backbone interact. energy: 0.149
local terms energy: -54.562991
where:
bonds (distance) C4'-P energy: -11.076
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -4.979
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: 8
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -125.821478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.821478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.821478 (E_RNA)
where:
Base-Base interactions energy: -75.043
where: short stacking energy: -36.182
Base-Backbone interact. energy: -0.130
local terms energy: -50.648729
where:
bonds (distance) C4'-P energy: -7.396
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -5.650
tors. eta vs tors. theta energy: -6.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -80.749370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.749370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.749370 (E_RNA)
where:
Base-Base interactions energy: -36.754
where: short stacking energy: -25.461
Base-Backbone interact. energy: 0.369
local terms energy: -44.363812
where:
bonds (distance) C4'-P energy: -12.436
bonds (distance) P-C4' energy: -10.703
flat angles C4'-P-C4' energy: -12.474
flat angles P-C4'-P energy: -6.057
tors. eta vs tors. theta energy: -2.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -82.935970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.935970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.935970 (E_RNA)
where:
Base-Base interactions energy: -40.139
where: short stacking energy: -20.363
Base-Backbone interact. energy: -0.373
local terms energy: -42.424002
where:
bonds (distance) C4'-P energy: -10.293
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -10.745
flat angles P-C4'-P energy: -7.166
tors. eta vs tors. theta energy: 2.363
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: 1, replica: 1
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -226.035601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.035601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.035601 (E_RNA)
where:
Base-Base interactions energy: -150.419
where: short stacking energy: -68.085
Base-Backbone interact. energy: -0.000
local terms energy: -75.616051
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -16.639
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: -20.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -224.819579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.819579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.819579 (E_RNA)
where:
Base-Base interactions energy: -141.642
where: short stacking energy: -66.873
Base-Backbone interact. energy: -0.002
local terms energy: -83.175445
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -11.704
tors. eta vs tors. theta energy: -23.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -188.079198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.079198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.079198 (E_RNA)
where:
Base-Base interactions energy: -125.309
where: short stacking energy: -51.085
Base-Backbone interact. energy: -0.073
local terms energy: -62.697071
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -13.238
flat angles C4'-P-C4' energy: -16.323
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -9.246
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: 4, replica: 7
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -184.595532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.595532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.595532 (E_RNA)
where:
Base-Base interactions energy: -115.642
where: short stacking energy: -50.767
Base-Backbone interact. energy: -0.941
local terms energy: -68.012570
where:
bonds (distance) C4'-P energy: -16.149
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -3.820
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: 5, replica: 10
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -161.601669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.601669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.601669 (E_RNA)
where:
Base-Base interactions energy: -96.702
where: short stacking energy: -53.234
Base-Backbone interact. energy: -0.154
local terms energy: -64.745888
where:
bonds (distance) C4'-P energy: -7.756
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -12.047
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: 6, replica: 5
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -188.364781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.364781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.364781 (E_RNA)
where:
Base-Base interactions energy: -123.843
where: short stacking energy: -61.625
Base-Backbone interact. energy: -0.008
local terms energy: -64.514149
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -11.286
flat angles C4'-P-C4' energy: -13.045
flat angles P-C4'-P energy: -7.969
tors. eta vs tors. theta energy: -16.973
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: 8
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -140.932575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.932575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.932575 (E_RNA)
where:
Base-Base interactions energy: -85.219
where: short stacking energy: -51.152
Base-Backbone interact. energy: 0.480
local terms energy: -56.193150
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -10.810
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -7.175
tors. eta vs tors. theta energy: -10.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -107.496484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.496484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.496484 (E_RNA)
where:
Base-Base interactions energy: -46.773
where: short stacking energy: -34.377
Base-Backbone interact. energy: -0.052
local terms energy: -60.671913
where:
bonds (distance) C4'-P energy: -10.269
bonds (distance) P-C4' energy: -18.377
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -7.703
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: 9, replica: 3
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -90.430303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.430303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.430303 (E_RNA)
where:
Base-Base interactions energy: -32.631
where: short stacking energy: -28.894
Base-Backbone interact. energy: -0.101
local terms energy: -57.698429
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -13.658
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -7.024
tors. eta vs tors. theta energy: -6.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -86.347549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.347549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.347549 (E_RNA)
where:
Base-Base interactions energy: -35.807
where: short stacking energy: -25.501
Base-Backbone interact. energy: -0.274
local terms energy: -50.266424
where:
bonds (distance) C4'-P energy: -15.223
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -10.669
flat angles P-C4'-P energy: -5.926
tors. eta vs tors. theta energy: -2.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -226.371424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.371424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.371424 (E_RNA)
where:
Base-Base interactions energy: -147.567
where: short stacking energy: -69.592
Base-Backbone interact. energy: -0.167
local terms energy: -78.637309
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -14.592
tors. eta vs tors. theta energy: -21.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -230.350161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.350161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.350161 (E_RNA)
where:
Base-Base interactions energy: -149.894
where: short stacking energy: -70.411
Base-Backbone interact. energy: -0.431
local terms energy: -80.024297
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -13.575
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: 3, replica: 2
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -191.311654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.311654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.311654 (E_RNA)
where:
Base-Base interactions energy: -127.829
where: short stacking energy: -57.548
Base-Backbone interact. energy: -0.305
local terms energy: -63.176841
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -7.567
tors. eta vs tors. theta energy: -13.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -197.458062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.458062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.458062 (E_RNA)
where:
Base-Base interactions energy: -132.856
where: short stacking energy: -53.170
Base-Backbone interact. energy: -0.493
local terms energy: -64.109364
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: -10.284
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: 10
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -160.838743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.838743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.838743 (E_RNA)
where:
Base-Base interactions energy: -108.974
where: short stacking energy: -59.458
Base-Backbone interact. energy: -0.005
local terms energy: -51.860091
where:
bonds (distance) C4'-P energy: -6.779
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -7.202
flat angles P-C4'-P energy: -8.797
tors. eta vs tors. theta energy: -11.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -188.069109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.069109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.069109 (E_RNA)
where:
Base-Base interactions energy: -126.492
where: short stacking energy: -61.116
Base-Backbone interact. energy: -0.034
local terms energy: -61.543160
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -6.737
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -16.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -96.929701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.929701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.929701 (E_RNA)
where:
Base-Base interactions energy: -51.283
where: short stacking energy: -34.319
Base-Backbone interact. energy: -0.055
local terms energy: -45.591719
where:
bonds (distance) C4'-P energy: -10.152
bonds (distance) P-C4' energy: -9.220
flat angles C4'-P-C4' energy: -12.163
flat angles P-C4'-P energy: -12.480
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: 8, replica: 3
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -121.301769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.301769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.301769 (E_RNA)
where:
Base-Base interactions energy: -64.149
where: short stacking energy: -35.931
Base-Backbone interact. energy: -0.147
local terms energy: -57.005714
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -8.079
tors. eta vs tors. theta energy: -6.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -75.618119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.618119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.618119 (E_RNA)
where:
Base-Base interactions energy: -30.360
where: short stacking energy: -23.839
Base-Backbone interact. energy: -0.373
local terms energy: -44.884832
where:
bonds (distance) C4'-P energy: -10.484
bonds (distance) P-C4' energy: -11.652
flat angles C4'-P-C4' energy: -7.565
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: -4.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -77.540086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.540086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.540086 (E_RNA)
where:
Base-Base interactions energy: -32.191
where: short stacking energy: -27.242
Base-Backbone interact. energy: -0.552
local terms energy: -44.797133
where:
bonds (distance) C4'-P energy: -8.192
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -9.242
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -2.940
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: 1
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -228.157132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.157132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.157132 (E_RNA)
where:
Base-Base interactions energy: -152.030
where: short stacking energy: -70.586
Base-Backbone interact. energy: -0.001
local terms energy: -76.125927
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -10.620
tors. eta vs tors. theta energy: -20.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -228.968820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.968820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.968820 (E_RNA)
where:
Base-Base interactions energy: -149.921
where: short stacking energy: -74.619
Base-Backbone interact. energy: -0.000
local terms energy: -79.047698
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -16.029
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -22.483
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: 7
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -187.240939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.240939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.240939 (E_RNA)
where:
Base-Base interactions energy: -124.839
where: short stacking energy: -53.233
Base-Backbone interact. energy: -0.208
local terms energy: -62.193803
where:
bonds (distance) C4'-P energy: -13.636
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -17.142
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -8.998
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: 2
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -181.903490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.903490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.903490 (E_RNA)
where:
Base-Base interactions energy: -117.240
where: short stacking energy: -54.575
Base-Backbone interact. energy: -0.134
local terms energy: -64.529982
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -13.411
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -11.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -217.309141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.309141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.309141 (E_RNA)
where:
Base-Base interactions energy: -148.863
where: short stacking energy: -73.655
Base-Backbone interact. energy: -0.005
local terms energy: -68.441377
where:
bonds (distance) C4'-P energy: -12.396
bonds (distance) P-C4' energy: -9.778
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: -22.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -156.155772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.155772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.155772 (E_RNA)
where:
Base-Base interactions energy: -97.451
where: short stacking energy: -49.920
Base-Backbone interact. energy: -0.121
local terms energy: -58.583694
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -13.416
flat angles C4'-P-C4' energy: -4.607
flat angles P-C4'-P energy: -10.353
tors. eta vs tors. theta energy: -13.679
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: 3
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -103.134674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.134674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.134674 (E_RNA)
where:
Base-Base interactions energy: -55.004
where: short stacking energy: -38.144
Base-Backbone interact. energy: -0.145
local terms energy: -47.985589
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -12.597
flat angles C4'-P-C4' energy: -10.996
flat angles P-C4'-P energy: -7.849
tors. eta vs tors. theta energy: -4.415
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: 8, replica: 8
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -90.329984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.329984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.329984 (E_RNA)
where:
Base-Base interactions energy: -41.555
where: short stacking energy: -34.735
Base-Backbone interact. energy: -0.032
local terms energy: -48.742767
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -9.285
flat angles C4'-P-C4' energy: -11.235
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -6.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -96.614260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.614260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.614260 (E_RNA)
where:
Base-Base interactions energy: -40.214
where: short stacking energy: -40.214
Base-Backbone interact. energy: -0.170
local terms energy: -56.230904
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -7.416
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -8.027
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: 6
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -73.960724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.960724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.960724 (E_RNA)
where:
Base-Base interactions energy: -31.882
where: short stacking energy: -27.017
Base-Backbone interact. energy: -0.350
local terms energy: -41.728504
where:
bonds (distance) C4'-P energy: -11.461
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -5.993
flat angles P-C4'-P energy: -6.142
tors. eta vs tors. theta energy: -2.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -232.416023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.416023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.416023 (E_RNA)
where:
Base-Base interactions energy: -154.480
where: short stacking energy: -69.489
Base-Backbone interact. energy: -0.001
local terms energy: -77.934348
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -10.807
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: 2, replica: 4
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -230.657063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.657063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.657063 (E_RNA)
where:
Base-Base interactions energy: -152.867
where: short stacking energy: -75.670
Base-Backbone interact. energy: -0.000
local terms energy: -77.790436
where:
bonds (distance) C4'-P energy: -16.191
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -22.320
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: 7
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -192.643736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.643736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.643736 (E_RNA)
where:
Base-Base interactions energy: -125.720
where: short stacking energy: -63.531
Base-Backbone interact. energy: -0.391
local terms energy: -66.532510
where:
bonds (distance) C4'-P energy: -13.977
bonds (distance) P-C4' energy: -11.467
flat angles C4'-P-C4' energy: -13.208
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -17.215
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: 5
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -212.927001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.927001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.927001 (E_RNA)
where:
Base-Base interactions energy: -142.141
where: short stacking energy: -70.431
Base-Backbone interact. energy: -0.020
local terms energy: -70.766485
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -11.139
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -19.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -193.115956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.115956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.115956 (E_RNA)
where:
Base-Base interactions energy: -127.709
where: short stacking energy: -56.158
Base-Backbone interact. energy: -0.196
local terms energy: -65.211500
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -13.443
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -9.066
tors. eta vs tors. theta energy: -13.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -145.865078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.865078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.865078 (E_RNA)
where:
Base-Base interactions energy: -85.279
where: short stacking energy: -53.685
Base-Backbone interact. energy: -0.002
local terms energy: -60.583801
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -5.310
flat angles P-C4'-P energy: -5.528
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: 3
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -85.780972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.780972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.780972 (E_RNA)
where:
Base-Base interactions energy: -30.731
where: short stacking energy: -21.336
Base-Backbone interact. energy: 0.650
local terms energy: -55.700012
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -7.579
tors. eta vs tors. theta energy: -1.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -86.834067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.834067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.834067 (E_RNA)
where:
Base-Base interactions energy: -33.027
where: short stacking energy: -33.027
Base-Backbone interact. energy: -0.070
local terms energy: -53.736468
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -11.381
flat angles P-C4'-P energy: -7.971
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: 9, replica: 8
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -91.647177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.647177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.647177 (E_RNA)
where:
Base-Base interactions energy: -43.297
where: short stacking energy: -43.297
Base-Backbone interact. energy: 0.053
local terms energy: -48.402693
where:
bonds (distance) C4'-P energy: -13.011
bonds (distance) P-C4' energy: -11.744
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -6.289
tors. eta vs tors. theta energy: -4.785
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: 6
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -80.339033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.339033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.339033 (E_RNA)
where:
Base-Base interactions energy: -24.734
where: short stacking energy: -22.072
Base-Backbone interact. energy: -0.438
local terms energy: -55.166590
where:
bonds (distance) C4'-P energy: -17.977
bonds (distance) P-C4' energy: -14.766
flat angles C4'-P-C4' energy: -13.854
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: 0.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -231.247451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.247451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.247451 (E_RNA)
where:
Base-Base interactions energy: -155.589
where: short stacking energy: -76.912
Base-Backbone interact. energy: -0.001
local terms energy: -75.658046
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -7.911
tors. eta vs tors. theta energy: -22.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -228.626881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.626881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.626881 (E_RNA)
where:
Base-Base interactions energy: -153.396
where: short stacking energy: -70.846
Base-Backbone interact. energy: -0.068
local terms energy: -75.162744
where:
bonds (distance) C4'-P energy: -9.554
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -16.202
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -19.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -188.056952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.056952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.056952 (E_RNA)
where:
Base-Base interactions energy: -119.179
where: short stacking energy: -58.282
Base-Backbone interact. energy: -0.542
local terms energy: -68.335326
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -12.488
flat angles P-C4'-P energy: -11.525
tors. eta vs tors. theta energy: -14.491
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: 5
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -192.791397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.791397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.791397 (E_RNA)
where:
Base-Base interactions energy: -128.185
where: short stacking energy: -55.649
Base-Backbone interact. energy: -0.770
local terms energy: -63.836761
where:
bonds (distance) C4'-P energy: -9.412
bonds (distance) P-C4' energy: -13.910
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -9.497
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: 5, replica: 10
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -164.545917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.545917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.545917 (E_RNA)
where:
Base-Base interactions energy: -102.121
where: short stacking energy: -56.258
Base-Backbone interact. energy: -0.026
local terms energy: -62.398989
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -5.883
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: 6, replica: 2
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -179.739124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.739124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.739124 (E_RNA)
where:
Base-Base interactions energy: -118.289
where: short stacking energy: -51.280
Base-Backbone interact. energy: -0.665
local terms energy: -60.784587
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -8.405
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -13.305
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: 9
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -86.750880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.750880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.750880 (E_RNA)
where:
Base-Base interactions energy: -38.744
where: short stacking energy: -38.635
Base-Backbone interact. energy: -0.054
local terms energy: -47.952403
where:
bonds (distance) C4'-P energy: -11.112
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -10.154
flat angles P-C4'-P energy: 0.343
tors. eta vs tors. theta energy: -12.601
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: 3
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -104.069211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.069211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.069211 (E_RNA)
where:
Base-Base interactions energy: -46.379
where: short stacking energy: -46.142
Base-Backbone interact. energy: -0.113
local terms energy: -57.577741
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -12.612
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: -6.672
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: 6
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -83.376855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.376855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.376855 (E_RNA)
where:
Base-Base interactions energy: -28.592
where: short stacking energy: -23.139
Base-Backbone interact. energy: -0.176
local terms energy: -54.609092
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: 1.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -73.781922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.781922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.781922 (E_RNA)
where:
Base-Base interactions energy: -22.445
where: short stacking energy: -22.445
Base-Backbone interact. energy: -0.089
local terms energy: -51.248323
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -3.483
tors. eta vs tors. theta energy: -2.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -232.233511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.233511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.233511 (E_RNA)
where:
Base-Base interactions energy: -151.618
where: short stacking energy: -67.506
Base-Backbone interact. energy: -0.696
local terms energy: -79.919288
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -12.794
tors. eta vs tors. theta energy: -18.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -199.438578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.438578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.438578 (E_RNA)
where:
Base-Base interactions energy: -133.996
where: short stacking energy: -66.617
Base-Backbone interact. energy: -0.002
local terms energy: -65.440427
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -5.964
tors. eta vs tors. theta energy: -16.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -212.615727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.615727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.615727 (E_RNA)
where:
Base-Base interactions energy: -142.084
where: short stacking energy: -70.265
Base-Backbone interact. energy: -0.041
local terms energy: -70.490157
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -12.843
flat angles C4'-P-C4' energy: -14.254
flat angles P-C4'-P energy: -9.519
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: 5
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -203.032928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.032928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.032928 (E_RNA)
where:
Base-Base interactions energy: -133.258
where: short stacking energy: -52.735
Base-Backbone interact. energy: -0.687
local terms energy: -69.088383
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -11.859
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -14.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -157.927054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.927054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.927054 (E_RNA)
where:
Base-Base interactions energy: -89.857
where: short stacking energy: -52.708
Base-Backbone interact. energy: 0.836
local terms energy: -68.905558
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -10.546
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: 6, replica: 2
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -191.519686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.519686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.519686 (E_RNA)
where:
Base-Base interactions energy: -140.600
where: short stacking energy: -48.126
Base-Backbone interact. energy: -0.494
local terms energy: -50.425407
where:
bonds (distance) C4'-P energy: -10.927
bonds (distance) P-C4' energy: -12.213
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -6.140
tors. eta vs tors. theta energy: -7.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -87.894109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.894109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.894109 (E_RNA)
where:
Base-Base interactions energy: -39.973
where: short stacking energy: -36.749
Base-Backbone interact. energy: -0.148
local terms energy: -47.773473
where:
bonds (distance) C4'-P energy: -12.306
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -11.236
flat angles P-C4'-P energy: -4.985
tors. eta vs tors. theta energy: -6.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -93.918610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.918610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.918610 (E_RNA)
where:
Base-Base interactions energy: -44.248
where: short stacking energy: -42.617
Base-Backbone interact. energy: -0.137
local terms energy: -49.533297
where:
bonds (distance) C4'-P energy: -8.254
bonds (distance) P-C4' energy: -8.223
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: -8.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -78.805065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.805065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.805065 (E_RNA)
where:
Base-Base interactions energy: -28.631
where: short stacking energy: -28.631
Base-Backbone interact. energy: -0.163
local terms energy: -50.011808
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -12.498
flat angles C4'-P-C4' energy: -11.834
flat angles P-C4'-P energy: -6.800
tors. eta vs tors. theta energy: -4.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -80.068431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.068431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.068431 (E_RNA)
where:
Base-Base interactions energy: -24.320
where: short stacking energy: -23.935
Base-Backbone interact. energy: -0.184
local terms energy: -55.564228
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -17.154
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -2.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -230.805013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.805013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.805013 (E_RNA)
where:
Base-Base interactions energy: -154.931
where: short stacking energy: -77.863
Base-Backbone interact. energy: 0.877
local terms energy: -76.751350
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -18.863
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: 7
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -204.861271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.861271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.861271 (E_RNA)
where:
Base-Base interactions energy: -137.362
where: short stacking energy: -56.588
Base-Backbone interact. energy: -0.033
local terms energy: -67.466507
where:
bonds (distance) C4'-P energy: -11.647
bonds (distance) P-C4' energy: -12.329
flat angles C4'-P-C4' energy: -16.393
flat angles P-C4'-P energy: -9.037
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: 3, replica: 1
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -225.434816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.434816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.434816 (E_RNA)
where:
Base-Base interactions energy: -154.058
where: short stacking energy: -73.217
Base-Backbone interact. energy: -0.055
local terms energy: -71.321819
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -14.003
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -6.441
tors. eta vs tors. theta energy: -21.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -209.027019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.027019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.027019 (E_RNA)
where:
Base-Base interactions energy: -141.665
where: short stacking energy: -68.976
Base-Backbone interact. energy: -0.249
local terms energy: -67.112709
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -5.021
tors. eta vs tors. theta energy: -17.644
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: 2
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -193.939083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.939083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.939083 (E_RNA)
where:
Base-Base interactions energy: -135.043
where: short stacking energy: -47.563
Base-Backbone interact. energy: 0.919
local terms energy: -59.814608
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -5.517
tors. eta vs tors. theta energy: -8.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -148.565712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.565712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.565712 (E_RNA)
where:
Base-Base interactions energy: -86.201
where: short stacking energy: -46.999
Base-Backbone interact. energy: 0.580
local terms energy: -62.944496
where:
bonds (distance) C4'-P energy: -9.991
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -13.101
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: 358
Temperature: 1.200000
Total energy: -97.363561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.363561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.363561 (E_RNA)
where:
Base-Base interactions energy: -44.962
where: short stacking energy: -32.012
Base-Backbone interact. energy: -0.609
local terms energy: -51.792749
where:
bonds (distance) C4'-P energy: -9.630
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -11.771
tors. eta vs tors. theta energy: -1.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -80.557522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.557522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.557522 (E_RNA)
where:
Base-Base interactions energy: -35.161
where: short stacking energy: -35.161
Base-Backbone interact. energy: 0.357
local terms energy: -45.754208
where:
bonds (distance) C4'-P energy: -11.916
bonds (distance) P-C4' energy: -15.031
flat angles C4'-P-C4' energy: -8.491
flat angles P-C4'-P energy: -7.671
tors. eta vs tors. theta energy: -2.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -148.427400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.427400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.427400 (E_RNA)
where:
Base-Base interactions energy: -94.294
where: short stacking energy: -46.378
Base-Backbone interact. energy: -0.128
local terms energy: -54.004790
where:
bonds (distance) C4'-P energy: -11.323
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -9.181
flat angles P-C4'-P energy: -9.367
tors. eta vs tors. theta energy: -10.617
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: 10, replica: 3
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -81.344820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.344820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.344820 (E_RNA)
where:
Base-Base interactions energy: -29.998
where: short stacking energy: -29.425
Base-Backbone interact. energy: 0.523
local terms energy: -51.869247
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -10.465
flat angles P-C4'-P energy: -8.281
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: 4
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -230.719816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.719816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.719816 (E_RNA)
where:
Base-Base interactions energy: -154.967
where: short stacking energy: -74.458
Base-Backbone interact. energy: -0.116
local terms energy: -75.636712
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -9.569
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: 2, replica: 1
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -229.703532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.703532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.703532 (E_RNA)
where:
Base-Base interactions energy: -153.627
where: short stacking energy: -60.559
Base-Backbone interact. energy: -0.244
local terms energy: -75.833003
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -7.123
tors. eta vs tors. theta energy: -22.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -191.833761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.833761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.833761 (E_RNA)
where:
Base-Base interactions energy: -124.139
where: short stacking energy: -61.311
Base-Backbone interact. energy: -0.000
local terms energy: -67.694287
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -10.022
tors. eta vs tors. theta energy: -13.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -225.421292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.421292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.421292 (E_RNA)
where:
Base-Base interactions energy: -150.014
where: short stacking energy: -70.065
Base-Backbone interact. energy: -0.003
local terms energy: -75.404464
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -14.690
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -8.014
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: 5, replica: 2
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -197.340880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.340880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.340880 (E_RNA)
where:
Base-Base interactions energy: -141.514
where: short stacking energy: -57.387
Base-Backbone interact. energy: -0.183
local terms energy: -55.643949
where:
bonds (distance) C4'-P energy: -7.994
bonds (distance) P-C4' energy: -10.872
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -9.798
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: 6, replica: 9
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -101.063136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.063136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.063136 (E_RNA)
where:
Base-Base interactions energy: -41.743
where: short stacking energy: -40.519
Base-Backbone interact. energy: -0.466
local terms energy: -58.854894
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -8.193
tors. eta vs tors. theta energy: -3.185
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: 359
Temperature: 1.200000
Total energy: -131.653610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.653610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.653610 (E_RNA)
where:
Base-Base interactions energy: -77.441
where: short stacking energy: -45.621
Base-Backbone interact. energy: 0.145
local terms energy: -54.358391
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -11.391
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -6.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -160.338511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.338511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.338511 (E_RNA)
where:
Base-Base interactions energy: -101.295
where: short stacking energy: -47.010
Base-Backbone interact. energy: -0.115
local terms energy: -58.928390
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -9.283
tors. eta vs tors. theta energy: -10.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -76.298378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.298378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.298378 (E_RNA)
where:
Base-Base interactions energy: -41.189
where: short stacking energy: -34.703
Base-Backbone interact. energy: -0.212
local terms energy: -34.897006
where:
bonds (distance) C4'-P energy: -5.272
bonds (distance) P-C4' energy: -9.562
flat angles C4'-P-C4' energy: -8.347
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -1.939
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: 10, replica: 3
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -78.589106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.589106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.589106 (E_RNA)
where:
Base-Base interactions energy: -32.567
where: short stacking energy: -30.141
Base-Backbone interact. energy: -0.161
local terms energy: -45.861629
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -12.252
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -7.011
tors. eta vs tors. theta energy: -1.592
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: 1, replica: 1
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -230.499887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.499887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.499887 (E_RNA)
where:
Base-Base interactions energy: -150.305
where: short stacking energy: -72.042
Base-Backbone interact. energy: -0.001
local terms energy: -80.193310
where:
bonds (distance) C4'-P energy: -16.665
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -17.866
flat angles P-C4'-P energy: -12.600
tors. eta vs tors. theta energy: -18.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -226.305636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.305636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.305636 (E_RNA)
where:
Base-Base interactions energy: -145.813
where: short stacking energy: -71.634
Base-Backbone interact. energy: -0.075
local terms energy: -80.417690
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -13.959
tors. eta vs tors. theta energy: -21.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -223.108860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.108860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.108860 (E_RNA)
where:
Base-Base interactions energy: -144.111
where: short stacking energy: -69.324
Base-Backbone interact. energy: -0.049
local terms energy: -78.948736
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -12.968
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: 4, replica: 7
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -187.631452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.631452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.631452 (E_RNA)
where:
Base-Base interactions energy: -127.254
where: short stacking energy: -63.711
Base-Backbone interact. energy: -0.003
local terms energy: -60.373931
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -10.502
flat angles C4'-P-C4' energy: -16.255
flat angles P-C4'-P energy: -5.541
tors. eta vs tors. theta energy: -13.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -191.899374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.899374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.899374 (E_RNA)
where:
Base-Base interactions energy: -122.459
where: short stacking energy: -52.051
Base-Backbone interact. energy: -0.008
local terms energy: -69.432523
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -7.811
tors. eta vs tors. theta energy: -14.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -99.027238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.027238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.027238 (E_RNA)
where:
Base-Base interactions energy: -44.679
where: short stacking energy: -44.679
Base-Backbone interact. energy: -0.129
local terms energy: -54.218782
where:
bonds (distance) C4'-P energy: -10.179
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -6.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -176.569797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.569797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.569797 (E_RNA)
where:
Base-Base interactions energy: -118.116
where: short stacking energy: -55.828
Base-Backbone interact. energy: -0.009
local terms energy: -58.445075
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -11.697
flat angles C4'-P-C4' energy: -9.185
flat angles P-C4'-P energy: -9.281
tors. eta vs tors. theta energy: -14.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -122.499766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.499766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.499766 (E_RNA)
where:
Base-Base interactions energy: -67.306
where: short stacking energy: -39.091
Base-Backbone interact. energy: 1.648
local terms energy: -56.841409
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -14.391
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -7.638
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: 3
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -79.021057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.021057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.021057 (E_RNA)
where:
Base-Base interactions energy: -40.419
where: short stacking energy: -40.349
Base-Backbone interact. energy: -0.141
local terms energy: -38.460934
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -6.656
flat angles C4'-P-C4' energy: -8.323
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -1.689
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: 6
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -82.068711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.068711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.068711 (E_RNA)
where:
Base-Base interactions energy: -26.840
where: short stacking energy: -25.207
Base-Backbone interact. energy: -0.201
local terms energy: -55.028308
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: 1.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -226.847864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.847864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.847864 (E_RNA)
where:
Base-Base interactions energy: -155.208
where: short stacking energy: -68.939
Base-Backbone interact. energy: -0.043
local terms energy: -71.596136
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -20.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -231.581332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.581332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.581332 (E_RNA)
where:
Base-Base interactions energy: -161.330
where: short stacking energy: -75.902
Base-Backbone interact. energy: -0.059
local terms energy: -70.192630
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -14.584
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -8.405
tors. eta vs tors. theta energy: -19.056
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: 5
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -219.993844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.993844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.993844 (E_RNA)
where:
Base-Base interactions energy: -143.536
where: short stacking energy: -59.496
Base-Backbone interact. energy: -0.148
local terms energy: -76.309738
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -14.956
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -11.655
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: 4, replica: 2
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -189.011767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.011767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.011767 (E_RNA)
where:
Base-Base interactions energy: -125.982
where: short stacking energy: -64.329
Base-Backbone interact. energy: -0.048
local terms energy: -62.981811
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -8.705
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -6.684
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: 5, replica: 7
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -189.074532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.074532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.074532 (E_RNA)
where:
Base-Base interactions energy: -126.690
where: short stacking energy: -64.116
Base-Backbone interact. energy: -0.005
local terms energy: -62.378801
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -16.774
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -5.901
tors. eta vs tors. theta energy: -14.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -179.308791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.308791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.308791 (E_RNA)
where:
Base-Base interactions energy: -116.115
where: short stacking energy: -56.332
Base-Backbone interact. energy: -0.016
local terms energy: -63.178375
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -8.153
flat angles P-C4'-P energy: -6.819
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: 7, replica: 9
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -90.094658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.094658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.094658 (E_RNA)
where:
Base-Base interactions energy: -41.002
where: short stacking energy: -32.618
Base-Backbone interact. energy: -0.112
local terms energy: -48.980959
where:
bonds (distance) C4'-P energy: -10.906
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -8.989
flat angles P-C4'-P energy: -11.021
tors. eta vs tors. theta energy: -3.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -85.267418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.267418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.267418 (E_RNA)
where:
Base-Base interactions energy: -32.255
where: short stacking energy: -27.477
Base-Backbone interact. energy: -0.327
local terms energy: -52.685587
where:
bonds (distance) C4'-P energy: -8.952
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -4.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -113.587502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.587502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.587502 (E_RNA)
where:
Base-Base interactions energy: -64.422
where: short stacking energy: -34.988
Base-Backbone interact. energy: 0.770
local terms energy: -49.934929
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -10.453
flat angles P-C4'-P energy: -11.785
tors. eta vs tors. theta energy: -0.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -72.800893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.800893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.800893 (E_RNA)
where:
Base-Base interactions energy: -26.492
where: short stacking energy: -21.460
Base-Backbone interact. energy: -0.333
local terms energy: -45.976116
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -8.736
flat angles P-C4'-P energy: -8.706
tors. eta vs tors. theta energy: 0.016
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: 4
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -234.206742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.206742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.206742 (E_RNA)
where:
Base-Base interactions energy: -155.814
where: short stacking energy: -73.608
Base-Backbone interact. energy: -0.003
local terms energy: -78.389526
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -10.916
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: 1
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -218.729245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.729245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.729245 (E_RNA)
where:
Base-Base interactions energy: -141.720
where: short stacking energy: -63.189
Base-Backbone interact. energy: -0.002
local terms energy: -77.007577
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -16.435
flat angles P-C4'-P energy: -11.764
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: 3, replica: 5
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -214.718881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.718881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.718881 (E_RNA)
where:
Base-Base interactions energy: -146.372
where: short stacking energy: -75.193
Base-Backbone interact. energy: -0.587
local terms energy: -67.759408
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -10.798
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -5.101
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: 4, replica: 2
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -196.247745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.247745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.247745 (E_RNA)
where:
Base-Base interactions energy: -132.698
where: short stacking energy: -71.081
Base-Backbone interact. energy: -0.019
local terms energy: -63.530743
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -4.418
tors. eta vs tors. theta energy: -15.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -184.654776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.654776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.654776 (E_RNA)
where:
Base-Base interactions energy: -116.525
where: short stacking energy: -51.494
Base-Backbone interact. energy: 0.758
local terms energy: -68.887929
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: -14.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -179.876151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.876151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.876151 (E_RNA)
where:
Base-Base interactions energy: -116.735
where: short stacking energy: -57.714
Base-Backbone interact. energy: -0.049
local terms energy: -63.091992
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -9.463
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: 7, replica: 3
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -92.409210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.409210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.409210 (E_RNA)
where:
Base-Base interactions energy: -38.623
where: short stacking energy: -39.081
Base-Backbone interact. energy: -0.067
local terms energy: -53.719437
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -9.178
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -10.584
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: 8, replica: 9
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -85.799810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.799810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.799810 (E_RNA)
where:
Base-Base interactions energy: -43.654
where: short stacking energy: -32.845
Base-Backbone interact. energy: -0.124
local terms energy: -42.021841
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -11.352
flat angles C4'-P-C4' energy: -9.402
flat angles P-C4'-P energy: -6.092
tors. eta vs tors. theta energy: -1.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -78.717907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.717907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.717907 (E_RNA)
where:
Base-Base interactions energy: -30.675
where: short stacking energy: -30.675
Base-Backbone interact. energy: 0.528
local terms energy: -48.570330
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -10.268
flat angles P-C4'-P energy: -4.566
tors. eta vs tors. theta energy: -4.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -94.172029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.172029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.172029 (E_RNA)
where:
Base-Base interactions energy: -46.408
where: short stacking energy: -25.069
Base-Backbone interact. energy: 1.509
local terms energy: -49.273507
where:
bonds (distance) C4'-P energy: -9.466
bonds (distance) P-C4' energy: -11.187
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: -5.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -233.927847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.927847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.927847 (E_RNA)
where:
Base-Base interactions energy: -157.644
where: short stacking energy: -75.195
Base-Backbone interact. energy: -0.624
local terms energy: -75.660476
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -11.671
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -22.055
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: 5
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -216.712214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.712214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.712214 (E_RNA)
where:
Base-Base interactions energy: -142.331
where: short stacking energy: -67.595
Base-Backbone interact. energy: -0.002
local terms energy: -74.378374
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -10.020
flat angles C4'-P-C4' energy: -16.987
flat angles P-C4'-P energy: -12.292
tors. eta vs tors. theta energy: -22.662
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: 363
Temperature: 1.000000
Total energy: -211.002106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.002106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.002106 (E_RNA)
where:
Base-Base interactions energy: -138.347
where: short stacking energy: -68.060
Base-Backbone interact. energy: -0.610
local terms energy: -72.045699
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -12.114
flat angles C4'-P-C4' energy: -16.915
flat angles P-C4'-P energy: -11.055
tors. eta vs tors. theta energy: -20.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -196.327171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.327171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.327171 (E_RNA)
where:
Base-Base interactions energy: -121.875
where: short stacking energy: -64.492
Base-Backbone interact. energy: -0.042
local terms energy: -74.410563
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -10.741
tors. eta vs tors. theta energy: -16.360
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: 2
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -173.695785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.695785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.695785 (E_RNA)
where:
Base-Base interactions energy: -110.976
where: short stacking energy: -50.821
Base-Backbone interact. energy: -0.312
local terms energy: -62.408240
where:
bonds (distance) C4'-P energy: -11.009
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: -15.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -175.667122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.667122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.667122 (E_RNA)
where:
Base-Base interactions energy: -111.626
where: short stacking energy: -53.271
Base-Backbone interact. energy: -0.160
local terms energy: -63.880610
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: -11.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -99.435125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.435125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.435125 (E_RNA)
where:
Base-Base interactions energy: -44.658
where: short stacking energy: -29.660
Base-Backbone interact. energy: -0.709
local terms energy: -54.068702
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -10.901
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -9.850
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: 8, replica: 6
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -84.299202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.299202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.299202 (E_RNA)
where:
Base-Base interactions energy: -33.238
where: short stacking energy: -30.573
Base-Backbone interact. energy: -0.132
local terms energy: -50.929080
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -11.218
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -7.369
tors. eta vs tors. theta energy: -5.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -74.196987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.196987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.196987 (E_RNA)
where:
Base-Base interactions energy: -24.657
where: short stacking energy: -23.359
Base-Backbone interact. energy: -0.009
local terms energy: -49.531241
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -11.240
flat angles P-C4'-P energy: -6.263
tors. eta vs tors. theta energy: -0.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -83.295192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.295192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.295192 (E_RNA)
where:
Base-Base interactions energy: -33.710
where: short stacking energy: -23.481
Base-Backbone interact. energy: -1.201
local terms energy: -48.384326
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -13.265
flat angles C4'-P-C4' energy: -11.389
flat angles P-C4'-P energy: -7.985
tors. eta vs tors. theta energy: -0.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -232.549473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.549473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.549473 (E_RNA)
where:
Base-Base interactions energy: -156.123
where: short stacking energy: -75.618
Base-Backbone interact. energy: -0.003
local terms energy: -76.423445
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -17.085
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -20.115
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: 5
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -220.433586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.433586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.433586 (E_RNA)
where:
Base-Base interactions energy: -138.406
where: short stacking energy: -76.877
Base-Backbone interact. energy: -0.010
local terms energy: -82.017410
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -16.311
flat angles P-C4'-P energy: -12.122
tors. eta vs tors. theta energy: -21.542
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: 1
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -227.255610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.255610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.255610 (E_RNA)
where:
Base-Base interactions energy: -152.709
where: short stacking energy: -72.528
Base-Backbone interact. energy: -0.011
local terms energy: -74.536309
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -19.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -187.628714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.628714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.628714 (E_RNA)
where:
Base-Base interactions energy: -123.252
where: short stacking energy: -53.302
Base-Backbone interact. energy: -0.090
local terms energy: -64.286756
where:
bonds (distance) C4'-P energy: -10.658
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -12.448
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -13.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -193.839090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.839090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.839090 (E_RNA)
where:
Base-Base interactions energy: -130.251
where: short stacking energy: -52.331
Base-Backbone interact. energy: -0.127
local terms energy: -63.460935
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -14.710
flat angles P-C4'-P energy: -6.575
tors. eta vs tors. theta energy: -12.841
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: 2
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -176.839583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.839583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.839583 (E_RNA)
where:
Base-Base interactions energy: -117.381
where: short stacking energy: -54.294
Base-Backbone interact. energy: -0.015
local terms energy: -59.443644
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -8.757
tors. eta vs tors. theta energy: -10.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -98.896644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.896644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.896644 (E_RNA)
where:
Base-Base interactions energy: -43.645
where: short stacking energy: -26.664
Base-Backbone interact. energy: -0.124
local terms energy: -55.128407
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -16.796
flat angles C4'-P-C4' energy: -12.398
flat angles P-C4'-P energy: -7.472
tors. eta vs tors. theta energy: -3.875
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: 3
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -89.803282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.803282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.803282 (E_RNA)
where:
Base-Base interactions energy: -31.454
where: short stacking energy: -30.626
Base-Backbone interact. energy: -0.083
local terms energy: -58.266521
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -8.561
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: 10
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -93.608812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.608812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.608812 (E_RNA)
where:
Base-Base interactions energy: -37.371
where: short stacking energy: -30.499
Base-Backbone interact. energy: -0.181
local terms energy: -56.056812
where:
bonds (distance) C4'-P energy: -7.057
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -9.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -73.112203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.112203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.112203 (E_RNA)
where:
Base-Base interactions energy: -25.564
where: short stacking energy: -23.689
Base-Backbone interact. energy: -0.251
local terms energy: -47.297807
where:
bonds (distance) C4'-P energy: -10.914
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -9.036
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -1.517
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: 1, replica: 4
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -232.805176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.805176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.805176 (E_RNA)
where:
Base-Base interactions energy: -157.893
where: short stacking energy: -78.913
Base-Backbone interact. energy: -0.035
local terms energy: -74.876825
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -14.488
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -11.595
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: 2, replica: 1
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -224.099394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.099394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.099394 (E_RNA)
where:
Base-Base interactions energy: -147.069
where: short stacking energy: -65.714
Base-Backbone interact. energy: -0.029
local terms energy: -77.000927
where:
bonds (distance) C4'-P energy: -11.879
bonds (distance) P-C4' energy: -18.948
flat angles C4'-P-C4' energy: -17.665
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -20.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -217.001981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.001981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.001981 (E_RNA)
where:
Base-Base interactions energy: -138.981
where: short stacking energy: -71.305
Base-Backbone interact. energy: -0.002
local terms energy: -78.018058
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -18.119
flat angles C4'-P-C4' energy: -11.139
flat angles P-C4'-P energy: -11.270
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: 4, replica: 7
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -190.164336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.164336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.164336 (E_RNA)
where:
Base-Base interactions energy: -118.046
where: short stacking energy: -54.316
Base-Backbone interact. energy: -0.016
local terms energy: -72.101809
where:
bonds (distance) C4'-P energy: -17.007
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -12.981
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -15.088
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: 5, replica: 8
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -177.905994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.905994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.905994 (E_RNA)
where:
Base-Base interactions energy: -125.168
where: short stacking energy: -53.677
Base-Backbone interact. energy: -0.021
local terms energy: -52.717743
where:
bonds (distance) C4'-P energy: -10.698
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -9.973
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -9.798
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: 2
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -178.897016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.897016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.897016 (E_RNA)
where:
Base-Base interactions energy: -112.994
where: short stacking energy: -53.155
Base-Backbone interact. energy: 0.200
local terms energy: -66.102475
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -15.471
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -6.020
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: 7, replica: 6
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -101.758310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.758310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.758310 (E_RNA)
where:
Base-Base interactions energy: -48.115
where: short stacking energy: -45.957
Base-Backbone interact. energy: -0.143
local terms energy: -53.500378
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -10.354
flat angles P-C4'-P energy: -8.626
tors. eta vs tors. theta energy: -6.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -93.941146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.941146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.941146 (E_RNA)
where:
Base-Base interactions energy: -49.683
where: short stacking energy: -22.943
Base-Backbone interact. energy: -0.221
local terms energy: -44.037236
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -12.908
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: 1.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -85.173850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.173850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.173850 (E_RNA)
where:
Base-Base interactions energy: -31.279
where: short stacking energy: -28.436
Base-Backbone interact. energy: -0.254
local terms energy: -53.639988
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -7.080
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: 10, replica: 9
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -73.151049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.151049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.151049 (E_RNA)
where:
Base-Base interactions energy: -23.121
where: short stacking energy: -23.121
Base-Backbone interact. energy: -0.286
local terms energy: -49.743473
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -14.720
flat angles P-C4'-P energy: -7.984
tors. eta vs tors. theta energy: 3.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -236.204452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.204452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.204452 (E_RNA)
where:
Base-Base interactions energy: -155.127
where: short stacking energy: -74.449
Base-Backbone interact. energy: -0.039
local terms energy: -81.038463
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -18.400
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: -21.916
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: 1
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -225.352358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.352358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.352358 (E_RNA)
where:
Base-Base interactions energy: -144.548
where: short stacking energy: -70.148
Base-Backbone interact. energy: -0.278
local terms energy: -80.525811
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -12.165
tors. eta vs tors. theta energy: -21.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -207.854377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.854377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.854377 (E_RNA)
where:
Base-Base interactions energy: -133.671
where: short stacking energy: -62.325
Base-Backbone interact. energy: -0.003
local terms energy: -74.180290
where:
bonds (distance) C4'-P energy: -12.545
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -9.887
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: 4, replica: 7
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -196.236235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.236235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.236235 (E_RNA)
where:
Base-Base interactions energy: -130.464
where: short stacking energy: -62.448
Base-Backbone interact. energy: -0.002
local terms energy: -65.769793
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -7.948
tors. eta vs tors. theta energy: -12.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -185.705217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.705217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.705217 (E_RNA)
where:
Base-Base interactions energy: -119.335
where: short stacking energy: -53.869
Base-Backbone interact. energy: -0.032
local terms energy: -66.338445
where:
bonds (distance) C4'-P energy: -15.090
bonds (distance) P-C4' energy: -14.827
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -10.818
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: 8
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -185.832621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.832621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.832621 (E_RNA)
where:
Base-Base interactions energy: -110.467
where: short stacking energy: -52.448
Base-Backbone interact. energy: -0.235
local terms energy: -75.129984
where:
bonds (distance) C4'-P energy: -17.245
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -15.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -92.790993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.790993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.790993 (E_RNA)
where:
Base-Base interactions energy: -37.575
where: short stacking energy: -37.314
Base-Backbone interact. energy: -0.243
local terms energy: -54.972580
where:
bonds (distance) C4'-P energy: -11.771
bonds (distance) P-C4' energy: -14.434
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -9.509
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: 366
Temperature: 1.250000
Total energy: -90.288204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.288204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.288204 (E_RNA)
where:
Base-Base interactions energy: -40.919
where: short stacking energy: -33.154
Base-Backbone interact. energy: -0.241
local terms energy: -49.129019
where:
bonds (distance) C4'-P energy: -9.235
bonds (distance) P-C4' energy: -11.317
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -8.840
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: 9, replica: 3
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -104.612758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.612758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.612758 (E_RNA)
where:
Base-Base interactions energy: -58.087
where: short stacking energy: -35.886
Base-Backbone interact. energy: -0.115
local terms energy: -46.410770
where:
bonds (distance) C4'-P energy: -10.335
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -11.247
flat angles P-C4'-P energy: -2.011
tors. eta vs tors. theta energy: -6.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -73.425426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.425426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.425426 (E_RNA)
where:
Base-Base interactions energy: -20.930
where: short stacking energy: -20.930
Base-Backbone interact. energy: 1.188
local terms energy: -53.684024
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -6.373
tors. eta vs tors. theta energy: -0.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -232.662563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.662563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.662563 (E_RNA)
where:
Base-Base interactions energy: -153.988
where: short stacking energy: -76.201
Base-Backbone interact. energy: -0.027
local terms energy: -78.647581
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -8.209
tors. eta vs tors. theta energy: -21.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -221.253173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.253173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.253173 (E_RNA)
where:
Base-Base interactions energy: -142.986
where: short stacking energy: -73.568
Base-Backbone interact. energy: -0.010
local terms energy: -78.257702
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -15.623
flat angles C4'-P-C4' energy: -16.461
flat angles P-C4'-P energy: -10.741
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: 5
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -224.740183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.740183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.740183 (E_RNA)
where:
Base-Base interactions energy: -150.631
where: short stacking energy: -74.833
Base-Backbone interact. energy: -0.003
local terms energy: -74.106014
where:
bonds (distance) C4'-P energy: -11.482
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -17.985
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -19.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -203.656310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.656310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.656310 (E_RNA)
where:
Base-Base interactions energy: -137.038
where: short stacking energy: -56.341
Base-Backbone interact. energy: -0.622
local terms energy: -65.996193
where:
bonds (distance) C4'-P energy: -17.968
bonds (distance) P-C4' energy: -18.092
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -4.986
tors. eta vs tors. theta energy: -11.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -186.403214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.403214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.403214 (E_RNA)
where:
Base-Base interactions energy: -115.731
where: short stacking energy: -53.094
Base-Backbone interact. energy: -0.838
local terms energy: -69.834809
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -5.839
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: 6, replica: 8
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -168.275919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.275919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.275919 (E_RNA)
where:
Base-Base interactions energy: -105.137
where: short stacking energy: -43.906
Base-Backbone interact. energy: -0.287
local terms energy: -62.852390
where:
bonds (distance) C4'-P energy: -12.913
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -10.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -95.618596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.618596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.618596 (E_RNA)
where:
Base-Base interactions energy: -36.150
where: short stacking energy: -36.150
Base-Backbone interact. energy: -0.083
local terms energy: -59.386513
where:
bonds (distance) C4'-P energy: -11.166
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -13.377
tors. eta vs tors. theta energy: -2.751
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: 6
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -87.695889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.695889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.695889 (E_RNA)
where:
Base-Base interactions energy: -45.479
where: short stacking energy: -34.063
Base-Backbone interact. energy: -0.234
local terms energy: -41.983060
where:
bonds (distance) C4'-P energy: -14.373
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -6.791
flat angles P-C4'-P energy: -2.276
tors. eta vs tors. theta energy: -4.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -79.251065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.251065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.251065 (E_RNA)
where:
Base-Base interactions energy: -36.106
where: short stacking energy: -35.203
Base-Backbone interact. energy: -0.109
local terms energy: -43.036035
where:
bonds (distance) C4'-P energy: -3.810
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -11.985
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: -4.904
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: 367
Temperature: 1.350000
Total energy: -73.474497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.474497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.474497 (E_RNA)
where:
Base-Base interactions energy: -22.815
where: short stacking energy: -16.798
Base-Backbone interact. energy: -0.154
local terms energy: -50.505115
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -17.549
flat angles C4'-P-C4' energy: -8.516
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -0.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -235.123776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.123776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.123776 (E_RNA)
where:
Base-Base interactions energy: -159.476
where: short stacking energy: -75.793
Base-Backbone interact. energy: -0.000
local terms energy: -75.647089
where:
bonds (distance) C4'-P energy: -16.872
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -13.619
flat angles P-C4'-P energy: -8.773
tors. eta vs tors. theta energy: -23.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -225.988452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.988452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.988452 (E_RNA)
where:
Base-Base interactions energy: -152.111
where: short stacking energy: -68.322
Base-Backbone interact. energy: -0.001
local terms energy: -73.876537
where:
bonds (distance) C4'-P energy: -11.551
bonds (distance) P-C4' energy: -14.509
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -13.617
tors. eta vs tors. theta energy: -19.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -218.097154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.097154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.097154 (E_RNA)
where:
Base-Base interactions energy: -146.138
where: short stacking energy: -72.800
Base-Backbone interact. energy: -0.035
local terms energy: -71.924099
where:
bonds (distance) C4'-P energy: -13.603
bonds (distance) P-C4' energy: -13.017
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: -20.082
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: 2
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -188.060988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.060988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.060988 (E_RNA)
where:
Base-Base interactions energy: -121.625
where: short stacking energy: -68.519
Base-Backbone interact. energy: -0.037
local terms energy: -66.399229
where:
bonds (distance) C4'-P energy: -15.968
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -9.022
tors. eta vs tors. theta energy: -13.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -183.588311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.588311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.588311 (E_RNA)
where:
Base-Base interactions energy: -124.131
where: short stacking energy: -60.467
Base-Backbone interact. energy: -0.049
local terms energy: -59.408005
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -11.066
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -3.687
tors. eta vs tors. theta energy: -17.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -178.956011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.956011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.956011 (E_RNA)
where:
Base-Base interactions energy: -112.736
where: short stacking energy: -56.876
Base-Backbone interact. energy: -0.001
local terms energy: -66.218467
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -17.179
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -10.790
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: 7, replica: 6
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -97.384274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.384274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.384274 (E_RNA)
where:
Base-Base interactions energy: -42.120
where: short stacking energy: -35.768
Base-Backbone interact. energy: -0.001
local terms energy: -55.263145
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -5.345
tors. eta vs tors. theta energy: -5.811
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: 10
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -83.551502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.551502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.551502 (E_RNA)
where:
Base-Base interactions energy: -36.477
where: short stacking energy: -12.989
Base-Backbone interact. energy: 3.163
local terms energy: -50.237841
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -9.657
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: -2.632
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: 9
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -86.606717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.606717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.606717 (E_RNA)
where:
Base-Base interactions energy: -41.709
where: short stacking energy: -34.837
Base-Backbone interact. energy: -1.033
local terms energy: -43.864736
where:
bonds (distance) C4'-P energy: -10.734
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -12.107
flat angles P-C4'-P energy: -1.678
tors. eta vs tors. theta energy: -5.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -78.350477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.350477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.350477 (E_RNA)
where:
Base-Base interactions energy: -27.094
where: short stacking energy: -21.611
Base-Backbone interact. energy: -0.104
local terms energy: -51.151779
where:
bonds (distance) C4'-P energy: -11.100
bonds (distance) P-C4' energy: -12.701
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -5.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -234.381144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.381144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.381144 (E_RNA)
where:
Base-Base interactions energy: -154.485
where: short stacking energy: -76.695
Base-Backbone interact. energy: -0.404
local terms energy: -79.492340
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -8.706
tors. eta vs tors. theta energy: -23.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -216.342158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.342158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.342158 (E_RNA)
where:
Base-Base interactions energy: -142.876
where: short stacking energy: -66.039
Base-Backbone interact. energy: -0.202
local terms energy: -73.264034
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -14.447
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -18.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -221.866132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.866132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.866132 (E_RNA)
where:
Base-Base interactions energy: -144.124
where: short stacking energy: -67.618
Base-Backbone interact. energy: -0.591
local terms energy: -77.150498
where:
bonds (distance) C4'-P energy: -17.232
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: -17.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -195.581272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.581272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.581272 (E_RNA)
where:
Base-Base interactions energy: -128.192
where: short stacking energy: -68.745
Base-Backbone interact. energy: -0.039
local terms energy: -67.350662
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -12.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -195.850776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.850776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.850776 (E_RNA)
where:
Base-Base interactions energy: -131.035
where: short stacking energy: -56.329
Base-Backbone interact. energy: -0.033
local terms energy: -64.782374
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -9.813
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -15.727
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: 7
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -177.031964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.031964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.031964 (E_RNA)
where:
Base-Base interactions energy: -114.548
where: short stacking energy: -56.533
Base-Backbone interact. energy: -0.071
local terms energy: -62.413425
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -12.660
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -11.501
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: 6
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -99.694326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.694326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.694326 (E_RNA)
where:
Base-Base interactions energy: -45.895
where: short stacking energy: -32.921
Base-Backbone interact. energy: -0.806
local terms energy: -52.994266
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -10.814
flat angles P-C4'-P energy: -6.789
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: 8, replica: 9
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -85.257276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.257276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.257276 (E_RNA)
where:
Base-Base interactions energy: -31.633
where: short stacking energy: -29.827
Base-Backbone interact. energy: -0.322
local terms energy: -53.301591
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -11.620
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -4.899
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: 10
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -99.565678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.565678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.565678 (E_RNA)
where:
Base-Base interactions energy: -57.448
where: short stacking energy: -30.327
Base-Backbone interact. energy: -0.024
local terms energy: -42.093702
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -12.727
flat angles C4'-P-C4' energy: -9.582
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: 0.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -83.436622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.436622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.436622 (E_RNA)
where:
Base-Base interactions energy: -39.728
where: short stacking energy: -27.556
Base-Backbone interact. energy: -0.183
local terms energy: -43.525083
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -11.543
flat angles C4'-P-C4' energy: -10.605
flat angles P-C4'-P energy: -5.403
tors. eta vs tors. theta energy: -1.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -224.722437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.722437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.722437 (E_RNA)
where:
Base-Base interactions energy: -155.347
where: short stacking energy: -71.703
Base-Backbone interact. energy: -0.418
local terms energy: -68.957268
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -11.351
flat angles C4'-P-C4' energy: -11.098
flat angles P-C4'-P energy: -12.304
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: 2, replica: 5
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -217.155618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.155618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.155618 (E_RNA)
where:
Base-Base interactions energy: -134.564
where: short stacking energy: -73.515
Base-Backbone interact. energy: -0.049
local terms energy: -82.542595
where:
bonds (distance) C4'-P energy: -18.147
bonds (distance) P-C4' energy: -14.608
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -15.013
tors. eta vs tors. theta energy: -19.580
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: 4
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -218.019877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.019877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.019877 (E_RNA)
where:
Base-Base interactions energy: -154.730
where: short stacking energy: -69.193
Base-Backbone interact. energy: -0.002
local terms energy: -63.288289
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -10.140
flat angles C4'-P-C4' energy: -17.395
flat angles P-C4'-P energy: -8.111
tors. eta vs tors. theta energy: -15.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -200.605178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.605178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.605178 (E_RNA)
where:
Base-Base interactions energy: -137.362
where: short stacking energy: -62.553
Base-Backbone interact. energy: -0.069
local terms energy: -63.173797
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -15.365
flat angles P-C4'-P energy: -4.806
tors. eta vs tors. theta energy: -11.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -183.209320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.209320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.209320 (E_RNA)
where:
Base-Base interactions energy: -117.101
where: short stacking energy: -50.763
Base-Backbone interact. energy: -0.945
local terms energy: -65.164159
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -6.168
tors. eta vs tors. theta energy: -13.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -176.402669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.402669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.402669 (E_RNA)
where:
Base-Base interactions energy: -111.296
where: short stacking energy: -56.227
Base-Backbone interact. energy: 0.017
local terms energy: -65.123963
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -14.200
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: 9
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -85.670108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.670108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.670108 (E_RNA)
where:
Base-Base interactions energy: -41.753
where: short stacking energy: -26.380
Base-Backbone interact. energy: -0.110
local terms energy: -43.807239
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -14.376
flat angles C4'-P-C4' energy: -7.262
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -2.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -119.392750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.392750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.392750 (E_RNA)
where:
Base-Base interactions energy: -63.981
where: short stacking energy: -36.433
Base-Backbone interact. energy: -0.166
local terms energy: -55.245270
where:
bonds (distance) C4'-P energy: -12.172
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -7.613
flat angles P-C4'-P energy: -13.007
tors. eta vs tors. theta energy: -6.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -87.923792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.923792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.923792 (E_RNA)
where:
Base-Base interactions energy: -40.703
where: short stacking energy: -28.956
Base-Backbone interact. energy: 0.711
local terms energy: -47.931868
where:
bonds (distance) C4'-P energy: -9.615
bonds (distance) P-C4' energy: -11.471
flat angles C4'-P-C4' energy: -10.908
flat angles P-C4'-P energy: -9.332
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: 10
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -80.318256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.318256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.318256 (E_RNA)
where:
Base-Base interactions energy: -34.191
where: short stacking energy: -34.191
Base-Backbone interact. energy: -0.104
local terms energy: -46.022945
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -9.080
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -0.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -234.824660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.824660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.824660 (E_RNA)
where:
Base-Base interactions energy: -150.568
where: short stacking energy: -76.864
Base-Backbone interact. energy: -0.182
local terms energy: -84.074724
where:
bonds (distance) C4'-P energy: -17.853
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -13.440
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: 2, replica: 4
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -219.077777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.077777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.077777 (E_RNA)
where:
Base-Base interactions energy: -143.905
where: short stacking energy: -70.307
Base-Backbone interact. energy: -0.308
local terms energy: -74.865078
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -6.854
tors. eta vs tors. theta energy: -20.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -214.835379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.835379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.835379 (E_RNA)
where:
Base-Base interactions energy: -140.601
where: short stacking energy: -75.713
Base-Backbone interact. energy: -0.003
local terms energy: -74.231663
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -11.262
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -21.092
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: 4, replica: 2
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -193.731570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.731570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.731570 (E_RNA)
where:
Base-Base interactions energy: -135.360
where: short stacking energy: -53.738
Base-Backbone interact. energy: -0.103
local terms energy: -58.268918
where:
bonds (distance) C4'-P energy: -11.634
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -10.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -181.411108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.411108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.411108 (E_RNA)
where:
Base-Base interactions energy: -124.569
where: short stacking energy: -45.989
Base-Backbone interact. energy: -0.274
local terms energy: -56.567988
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -12.859
flat angles C4'-P-C4' energy: -12.586
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -7.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -179.839313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.839313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.839313 (E_RNA)
where:
Base-Base interactions energy: -110.719
where: short stacking energy: -58.043
Base-Backbone interact. energy: -0.044
local terms energy: -69.076858
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -11.703
flat angles C4'-P-C4' energy: -17.075
flat angles P-C4'-P energy: -5.555
tors. eta vs tors. theta energy: -17.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -122.588527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.588527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.588527 (E_RNA)
where:
Base-Base interactions energy: -73.758
where: short stacking energy: -39.327
Base-Backbone interact. energy: -0.128
local terms energy: -48.702407
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -5.218
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -8.131
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: 8, replica: 6
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -120.750137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.750137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.750137 (E_RNA)
where:
Base-Base interactions energy: -66.619
where: short stacking energy: -34.774
Base-Backbone interact. energy: 0.089
local terms energy: -54.220560
where:
bonds (distance) C4'-P energy: -10.359
bonds (distance) P-C4' energy: -17.626
flat angles C4'-P-C4' energy: -8.706
flat angles P-C4'-P energy: -7.046
tors. eta vs tors. theta energy: -10.483
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: 3
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -81.921110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.921110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.921110 (E_RNA)
where:
Base-Base interactions energy: -34.695
where: short stacking energy: -25.441
Base-Backbone interact. energy: -1.001
local terms energy: -46.224719
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -12.346
flat angles C4'-P-C4' energy: -11.013
flat angles P-C4'-P energy: -6.990
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: 10
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -78.712301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.712301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.712301 (E_RNA)
where:
Base-Base interactions energy: -27.632
where: short stacking energy: -22.009
Base-Backbone interact. energy: -0.120
local terms energy: -50.960739
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -11.655
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: 0.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -228.847408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.847408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.847408 (E_RNA)
where:
Base-Base interactions energy: -152.546
where: short stacking energy: -76.249
Base-Backbone interact. energy: -0.156
local terms energy: -76.145316
where:
bonds (distance) C4'-P energy: -11.393
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -17.364
flat angles P-C4'-P energy: -9.423
tors. eta vs tors. theta energy: -23.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -220.257227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.257227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.257227 (E_RNA)
where:
Base-Base interactions energy: -138.554
where: short stacking energy: -67.835
Base-Backbone interact. energy: -0.048
local terms energy: -81.654975
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -14.596
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: 3, replica: 5
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -216.681536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.681536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.681536 (E_RNA)
where:
Base-Base interactions energy: -139.068
where: short stacking energy: -72.228
Base-Backbone interact. energy: -0.616
local terms energy: -76.997298
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -16.895
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -20.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -190.519223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.519223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.519223 (E_RNA)
where:
Base-Base interactions energy: -125.886
where: short stacking energy: -56.573
Base-Backbone interact. energy: -0.005
local terms energy: -64.628431
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -16.761
flat angles P-C4'-P energy: -3.194
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: 8
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -181.957755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.957755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.957755 (E_RNA)
where:
Base-Base interactions energy: -122.263
where: short stacking energy: -55.834
Base-Backbone interact. energy: 0.092
local terms energy: -59.787194
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -11.074
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -3.820
tors. eta vs tors. theta energy: -16.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -170.715631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.715631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.715631 (E_RNA)
where:
Base-Base interactions energy: -105.885
where: short stacking energy: -50.017
Base-Backbone interact. energy: -0.043
local terms energy: -64.787318
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -14.239
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -9.049
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: 7, replica: 6
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -135.263471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.263471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.263471 (E_RNA)
where:
Base-Base interactions energy: -73.871
where: short stacking energy: -43.189
Base-Backbone interact. energy: 0.015
local terms energy: -61.407459
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -8.262
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: 9
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -153.582523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.582523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.582523 (E_RNA)
where:
Base-Base interactions energy: -89.010
where: short stacking energy: -47.286
Base-Backbone interact. energy: -0.590
local terms energy: -63.982217
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -11.307
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -11.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -86.164792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.164792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.164792 (E_RNA)
where:
Base-Base interactions energy: -43.301
where: short stacking energy: -29.157
Base-Backbone interact. energy: -0.280
local terms energy: -42.584726
where:
bonds (distance) C4'-P energy: -10.211
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -14.417
flat angles P-C4'-P energy: -0.959
tors. eta vs tors. theta energy: -2.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -74.699950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.699950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.699950 (E_RNA)
where:
Base-Base interactions energy: -36.805
where: short stacking energy: -36.744
Base-Backbone interact. energy: 1.094
local terms energy: -38.988724
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -8.571
flat angles C4'-P-C4' energy: -10.284
flat angles P-C4'-P energy: -1.774
tors. eta vs tors. theta energy: -6.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -232.260732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.260732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.260732 (E_RNA)
where:
Base-Base interactions energy: -150.793
where: short stacking energy: -71.402
Base-Backbone interact. energy: -0.001
local terms energy: -81.467113
where:
bonds (distance) C4'-P energy: -17.324
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -12.736
tors. eta vs tors. theta energy: -20.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -231.869301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.869301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.869301 (E_RNA)
where:
Base-Base interactions energy: -150.473
where: short stacking energy: -78.040
Base-Backbone interact. energy: -0.001
local terms energy: -81.394447
where:
bonds (distance) C4'-P energy: -17.170
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -12.643
flat angles P-C4'-P energy: -15.010
tors. eta vs tors. theta energy: -21.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -218.993438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.993438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.993438 (E_RNA)
where:
Base-Base interactions energy: -149.023
where: short stacking energy: -71.894
Base-Backbone interact. energy: -0.662
local terms energy: -69.308946
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -9.069
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: 4, replica: 8
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -187.423474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.423474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.423474 (E_RNA)
where:
Base-Base interactions energy: -118.251
where: short stacking energy: -54.610
Base-Backbone interact. energy: -0.017
local terms energy: -69.155657
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: -11.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -179.050075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.050075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.050075 (E_RNA)
where:
Base-Base interactions energy: -110.012
where: short stacking energy: -48.144
Base-Backbone interact. energy: 0.086
local terms energy: -69.124190
where:
bonds (distance) C4'-P energy: -16.830
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -15.418
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: -12.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -171.193336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.193336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.193336 (E_RNA)
where:
Base-Base interactions energy: -108.991
where: short stacking energy: -46.881
Base-Backbone interact. energy: -0.035
local terms energy: -62.167030
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -12.315
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: 373
Temperature: 1.200000
Total energy: -141.285455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.285455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.285455 (E_RNA)
where:
Base-Base interactions energy: -83.373
where: short stacking energy: -46.832
Base-Backbone interact. energy: -0.021
local terms energy: -57.890957
where:
bonds (distance) C4'-P energy: -12.661
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -2.617
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: 8, replica: 9
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -132.202314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.202314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.202314 (E_RNA)
where:
Base-Base interactions energy: -77.391
where: short stacking energy: -43.549
Base-Backbone interact. energy: -0.112
local terms energy: -54.699748
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -12.833
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -6.892
tors. eta vs tors. theta energy: -6.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -78.613282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.613282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.613282 (E_RNA)
where:
Base-Base interactions energy: -23.877
where: short stacking energy: -23.877
Base-Backbone interact. energy: -0.060
local terms energy: -54.676054
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -11.506
flat angles P-C4'-P energy: -10.021
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: 10, replica: 3
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -89.709473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.709473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.709473 (E_RNA)
where:
Base-Base interactions energy: -35.165
where: short stacking energy: -22.399
Base-Backbone interact. energy: 0.413
local terms energy: -54.957679
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: 0.537
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: 5
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -232.053560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.053560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.053560 (E_RNA)
where:
Base-Base interactions energy: -152.237
where: short stacking energy: -72.631
Base-Backbone interact. energy: 0.135
local terms energy: -79.951045
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -20.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -226.742172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.742172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.742172 (E_RNA)
where:
Base-Base interactions energy: -150.232
where: short stacking energy: -72.721
Base-Backbone interact. energy: 1.412
local terms energy: -77.922010
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -11.565
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: 3, replica: 8
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -197.099206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.099206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.099206 (E_RNA)
where:
Base-Base interactions energy: -123.336
where: short stacking energy: -61.076
Base-Backbone interact. energy: -0.002
local terms energy: -73.760923
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -8.722
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: 4, replica: 4
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -208.524109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.524109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.524109 (E_RNA)
where:
Base-Base interactions energy: -133.674
where: short stacking energy: -53.184
Base-Backbone interact. energy: -0.012
local terms energy: -74.838660
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -11.471
tors. eta vs tors. theta energy: -17.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -189.132956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.132956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.132956 (E_RNA)
where:
Base-Base interactions energy: -118.506
where: short stacking energy: -52.311
Base-Backbone interact. energy: -0.073
local terms energy: -70.553844
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -14.024
tors. eta vs tors. theta energy: -11.150
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: 7
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -152.626788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.626788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.626788 (E_RNA)
where:
Base-Base interactions energy: -92.886
where: short stacking energy: -39.488
Base-Backbone interact. energy: -0.200
local terms energy: -59.540624
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -4.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -149.858134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.858134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.858134 (E_RNA)
where:
Base-Base interactions energy: -88.787
where: short stacking energy: -43.213
Base-Backbone interact. energy: -0.626
local terms energy: -60.444796
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -16.295
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -5.916
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: 6
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -127.354414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.354414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.354414 (E_RNA)
where:
Base-Base interactions energy: -69.718
where: short stacking energy: -39.899
Base-Backbone interact. energy: 0.845
local terms energy: -58.480834
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -14.276
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -5.951
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: 9, replica: 3
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -85.551870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.551870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.551870 (E_RNA)
where:
Base-Base interactions energy: -39.394
where: short stacking energy: -31.443
Base-Backbone interact. energy: 2.445
local terms energy: -48.603783
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -15.164
flat angles C4'-P-C4' energy: -11.851
flat angles P-C4'-P energy: -1.962
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: 10, replica: 10
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -69.672432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.672432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.672432 (E_RNA)
where:
Base-Base interactions energy: -28.072
where: short stacking energy: -11.724
Base-Backbone interact. energy: -0.303
local terms energy: -41.297243
where:
bonds (distance) C4'-P energy: -6.340
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: 4.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -231.522395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.522395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.522395 (E_RNA)
where:
Base-Base interactions energy: -153.149
where: short stacking energy: -76.666
Base-Backbone interact. energy: -0.003
local terms energy: -78.370515
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -13.857
flat angles C4'-P-C4' energy: -18.022
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: -23.717
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: 1
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -224.346679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.346679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.346679 (E_RNA)
where:
Base-Base interactions energy: -149.087
where: short stacking energy: -77.084
Base-Backbone interact. energy: -0.207
local terms energy: -75.052478
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -18.833
flat angles P-C4'-P energy: -10.641
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: 3, replica: 8
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -194.565983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.565983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.565983 (E_RNA)
where:
Base-Base interactions energy: -127.525
where: short stacking energy: -67.729
Base-Backbone interact. energy: -0.008
local terms energy: -67.032696
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -12.082
flat angles P-C4'-P energy: -9.070
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: 4, replica: 4
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -217.764195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.764195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.764195 (E_RNA)
where:
Base-Base interactions energy: -140.344
where: short stacking energy: -64.858
Base-Backbone interact. energy: -0.049
local terms energy: -77.371540
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -13.692
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -13.423
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: 2
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -187.334968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.334968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.334968 (E_RNA)
where:
Base-Base interactions energy: -116.018
where: short stacking energy: -54.345
Base-Backbone interact. energy: -0.125
local terms energy: -71.191857
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -15.435
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -12.771
tors. eta vs tors. theta energy: -12.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -162.303561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.303561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.303561 (E_RNA)
where:
Base-Base interactions energy: -109.217
where: short stacking energy: -38.183
Base-Backbone interact. energy: -0.412
local terms energy: -52.674816
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -15.028
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -5.576
tors. eta vs tors. theta energy: -5.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -147.297578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.297578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.297578 (E_RNA)
where:
Base-Base interactions energy: -93.238
where: short stacking energy: -54.515
Base-Backbone interact. energy: -0.174
local terms energy: -53.885625
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -10.070
flat angles P-C4'-P energy: -5.945
tors. eta vs tors. theta energy: -10.312
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: 3
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -89.442402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.442402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.442402 (E_RNA)
where:
Base-Base interactions energy: -39.724
where: short stacking energy: -39.724
Base-Backbone interact. energy: -0.180
local terms energy: -49.538863
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -13.696
flat angles C4'-P-C4' energy: -7.663
flat angles P-C4'-P energy: -2.820
tors. eta vs tors. theta energy: -11.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -108.526553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.526553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.526553 (E_RNA)
where:
Base-Base interactions energy: -54.286
where: short stacking energy: -18.944
Base-Backbone interact. energy: -0.340
local terms energy: -53.900945
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -13.300
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -12.043
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: 10, replica: 10
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -70.516056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.516056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.516056 (E_RNA)
where:
Base-Base interactions energy: -19.948
where: short stacking energy: -19.331
Base-Backbone interact. energy: -0.338
local terms energy: -50.229977
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: 0.672
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: 1, replica: 1
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -232.579515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.579515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.579515 (E_RNA)
where:
Base-Base interactions energy: -148.597
where: short stacking energy: -70.832
Base-Backbone interact. energy: -0.240
local terms energy: -83.742530
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -18.968
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -23.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -217.441674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.441674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.441674 (E_RNA)
where:
Base-Base interactions energy: -142.897
where: short stacking energy: -69.501
Base-Backbone interact. energy: -0.112
local terms energy: -74.433292
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -12.056
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: 3, replica: 4
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -212.415902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.415902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.415902 (E_RNA)
where:
Base-Base interactions energy: -137.619
where: short stacking energy: -64.561
Base-Backbone interact. energy: -0.124
local terms energy: -74.672616
where:
bonds (distance) C4'-P energy: -17.903
bonds (distance) P-C4' energy: -16.211
flat angles C4'-P-C4' energy: -12.284
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -18.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -183.330444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.330444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.330444 (E_RNA)
where:
Base-Base interactions energy: -113.995
where: short stacking energy: -59.975
Base-Backbone interact. energy: -0.001
local terms energy: -69.333611
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -12.454
flat angles C4'-P-C4' energy: -12.416
flat angles P-C4'-P energy: -11.921
tors. eta vs tors. theta energy: -18.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -172.493940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.493940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.493940 (E_RNA)
where:
Base-Base interactions energy: -108.714
where: short stacking energy: -48.063
Base-Backbone interact. energy: -0.143
local terms energy: -63.636470
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -16.408
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -7.182
tors. eta vs tors. theta energy: -11.977
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: 2
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -180.478640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.478640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.478640 (E_RNA)
where:
Base-Base interactions energy: -117.119
where: short stacking energy: -44.012
Base-Backbone interact. energy: -0.128
local terms energy: -63.231704
where:
bonds (distance) C4'-P energy: -11.189
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -9.371
tors. eta vs tors. theta energy: -8.858
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: 3
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -85.975720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.975720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.975720 (E_RNA)
where:
Base-Base interactions energy: -35.332
where: short stacking energy: -30.335
Base-Backbone interact. energy: -0.022
local terms energy: -50.621550
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -9.876
flat angles P-C4'-P energy: -7.695
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: 8, replica: 9
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -100.958402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.958402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.958402 (E_RNA)
where:
Base-Base interactions energy: -54.731
where: short stacking energy: -23.270
Base-Backbone interact. energy: -0.902
local terms energy: -45.325089
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -4.775
flat angles P-C4'-P energy: -11.870
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: 9, replica: 10
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -86.516211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.516211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.516211 (E_RNA)
where:
Base-Base interactions energy: -40.506
where: short stacking energy: -27.320
Base-Backbone interact. energy: -0.093
local terms energy: -45.917190
where:
bonds (distance) C4'-P energy: -7.368
bonds (distance) P-C4' energy: -17.075
flat angles C4'-P-C4' energy: -13.726
flat angles P-C4'-P energy: -7.273
tors. eta vs tors. theta energy: -0.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -74.775030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.775030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.775030 (E_RNA)
where:
Base-Base interactions energy: -20.716
where: short stacking energy: -13.699
Base-Backbone interact. energy: -0.218
local terms energy: -53.840888
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -11.512
flat angles P-C4'-P energy: -5.752
tors. eta vs tors. theta energy: -4.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -226.356861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.356861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.356861 (E_RNA)
where:
Base-Base interactions energy: -159.299
where: short stacking energy: -72.293
Base-Backbone interact. energy: -0.608
local terms energy: -66.450072
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -7.633
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -9.559
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: 2, replica: 5
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -226.757867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.757867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.757867 (E_RNA)
where:
Base-Base interactions energy: -154.997
where: short stacking energy: -77.483
Base-Backbone interact. energy: -0.028
local terms energy: -71.733261
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -9.423
tors. eta vs tors. theta energy: -20.754
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: 4
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -215.919553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.919553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.919553 (E_RNA)
where:
Base-Base interactions energy: -138.449
where: short stacking energy: -71.257
Base-Backbone interact. energy: -0.076
local terms energy: -77.394180
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -20.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -182.862741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.862741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.862741 (E_RNA)
where:
Base-Base interactions energy: -121.379
where: short stacking energy: -53.365
Base-Backbone interact. energy: -0.133
local terms energy: -61.350624
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -10.491
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -12.934
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: 8
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -192.515165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.515165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.515165 (E_RNA)
where:
Base-Base interactions energy: -119.892
where: short stacking energy: -57.288
Base-Backbone interact. energy: -1.290
local terms energy: -71.332676
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -14.686
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -16.126
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: 2
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -171.180585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.180585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.180585 (E_RNA)
where:
Base-Base interactions energy: -107.125
where: short stacking energy: -49.049
Base-Backbone interact. energy: -0.152
local terms energy: -63.902694
where:
bonds (distance) C4'-P energy: -10.989
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -16.455
flat angles P-C4'-P energy: -7.021
tors. eta vs tors. theta energy: -12.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -100.581935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.581935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.581935 (E_RNA)
where:
Base-Base interactions energy: -49.496
where: short stacking energy: -41.325
Base-Backbone interact. energy: -0.036
local terms energy: -51.049819
where:
bonds (distance) C4'-P energy: -7.664
bonds (distance) P-C4' energy: -14.006
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -8.847
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: 8, replica: 9
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -107.624678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.624678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.624678 (E_RNA)
where:
Base-Base interactions energy: -45.901
where: short stacking energy: -31.328
Base-Backbone interact. energy: -0.314
local terms energy: -61.409620
where:
bonds (distance) C4'-P energy: -13.720
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -13.127
flat angles P-C4'-P energy: -13.167
tors. eta vs tors. theta energy: -5.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -109.300743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.300743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.300743 (E_RNA)
where:
Base-Base interactions energy: -56.884
where: short stacking energy: -27.280
Base-Backbone interact. energy: 0.071
local terms energy: -52.488072
where:
bonds (distance) C4'-P energy: -15.556
bonds (distance) P-C4' energy: -10.289
flat angles C4'-P-C4' energy: -12.404
flat angles P-C4'-P energy: -8.179
tors. eta vs tors. theta energy: -6.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -78.863502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.863502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.863502 (E_RNA)
where:
Base-Base interactions energy: -40.315
where: short stacking energy: -31.783
Base-Backbone interact. energy: -0.531
local terms energy: -38.018105
where:
bonds (distance) C4'-P energy: -10.000
bonds (distance) P-C4' energy: -11.072
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -1.960
tors. eta vs tors. theta energy: -2.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -226.876764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.876764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.876764 (E_RNA)
where:
Base-Base interactions energy: -154.301
where: short stacking energy: -74.102
Base-Backbone interact. energy: -0.009
local terms energy: -72.566733
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: -9.750
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: 2, replica: 1
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -216.740431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.740431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.740431 (E_RNA)
where:
Base-Base interactions energy: -140.000
where: short stacking energy: -64.789
Base-Backbone interact. energy: -0.003
local terms energy: -76.737716
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -17.427
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -19.063
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: 3, replica: 4
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -221.692700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.692700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.692700 (E_RNA)
where:
Base-Base interactions energy: -142.588
where: short stacking energy: -65.243
Base-Backbone interact. energy: -0.002
local terms energy: -79.102314
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -23.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -190.304305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.304305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.304305 (E_RNA)
where:
Base-Base interactions energy: -122.225
where: short stacking energy: -54.358
Base-Backbone interact. energy: -0.117
local terms energy: -67.961995
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -13.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -177.635880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.635880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.635880 (E_RNA)
where:
Base-Base interactions energy: -120.555
where: short stacking energy: -46.589
Base-Backbone interact. energy: -0.204
local terms energy: -56.877438
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -12.551
flat angles P-C4'-P energy: -5.284
tors. eta vs tors. theta energy: -5.974
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: 8
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -176.873281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.873281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.873281 (E_RNA)
where:
Base-Base interactions energy: -116.916
where: short stacking energy: -51.786
Base-Backbone interact. energy: -1.087
local terms energy: -58.870454
where:
bonds (distance) C4'-P energy: -11.076
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -10.650
tors. eta vs tors. theta energy: -6.710
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: 7, replica: 9
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -91.343156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.343156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.343156 (E_RNA)
where:
Base-Base interactions energy: -41.088
where: short stacking energy: -29.850
Base-Backbone interact. energy: -0.318
local terms energy: -49.937115
where:
bonds (distance) C4'-P energy: -11.001
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -10.995
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: 0.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -92.297980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.297980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.297980 (E_RNA)
where:
Base-Base interactions energy: -36.833
where: short stacking energy: -34.694
Base-Backbone interact. energy: 0.719
local terms energy: -56.184021
where:
bonds (distance) C4'-P energy: -9.413
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -16.999
flat angles P-C4'-P energy: -4.767
tors. eta vs tors. theta energy: -6.360
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: 9, replica: 6
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -88.958568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.958568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.958568 (E_RNA)
where:
Base-Base interactions energy: -41.028
where: short stacking energy: -41.028
Base-Backbone interact. energy: -0.202
local terms energy: -47.728375
where:
bonds (distance) C4'-P energy: -9.007
bonds (distance) P-C4' energy: -15.671
flat angles C4'-P-C4' energy: -9.925
flat angles P-C4'-P energy: -6.901
tors. eta vs tors. theta energy: -6.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -77.765204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.765204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.765204 (E_RNA)
where:
Base-Base interactions energy: -32.335
where: short stacking energy: -22.791
Base-Backbone interact. energy: 1.150
local terms energy: -46.580168
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -10.487
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: 1.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -212.902602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.902602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.902602 (E_RNA)
where:
Base-Base interactions energy: -137.965
where: short stacking energy: -69.403
Base-Backbone interact. energy: -0.196
local terms energy: -74.740982
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -12.700
tors. eta vs tors. theta energy: -15.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -229.371860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.371860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.371860 (E_RNA)
where:
Base-Base interactions energy: -149.808
where: short stacking energy: -70.301
Base-Backbone interact. energy: -0.039
local terms energy: -79.524916
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -21.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -213.704756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.704756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.704756 (E_RNA)
where:
Base-Base interactions energy: -141.578
where: short stacking energy: -59.007
Base-Backbone interact. energy: -0.791
local terms energy: -71.334956
where:
bonds (distance) C4'-P energy: -15.255
bonds (distance) P-C4' energy: -12.913
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -19.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -184.707910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.707910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.707910 (E_RNA)
where:
Base-Base interactions energy: -119.148
where: short stacking energy: -52.380
Base-Backbone interact. energy: -0.320
local terms energy: -65.239220
where:
bonds (distance) C4'-P energy: -12.429
bonds (distance) P-C4' energy: -16.059
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -8.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -174.761065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.761065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.761065 (E_RNA)
where:
Base-Base interactions energy: -114.557
where: short stacking energy: -55.369
Base-Backbone interact. energy: -0.002
local terms energy: -60.201696
where:
bonds (distance) C4'-P energy: -11.719
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -12.541
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -12.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -181.658886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.658886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.658886 (E_RNA)
where:
Base-Base interactions energy: -125.140
where: short stacking energy: -58.773
Base-Backbone interact. energy: -0.696
local terms energy: -55.823784
where:
bonds (distance) C4'-P energy: -9.641
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -14.254
flat angles P-C4'-P energy: -2.076
tors. eta vs tors. theta energy: -14.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -102.610063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.610063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.610063 (E_RNA)
where:
Base-Base interactions energy: -57.706
where: short stacking energy: -35.092
Base-Backbone interact. energy: -0.189
local terms energy: -44.715938
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -10.708
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -3.603
tors. eta vs tors. theta energy: -2.964
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: 6
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -87.806822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.806822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.806822 (E_RNA)
where:
Base-Base interactions energy: -35.298
where: short stacking energy: -33.350
Base-Backbone interact. energy: -0.008
local terms energy: -52.500522
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -16.363
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -5.879
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: 3
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -86.343427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.343427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.343427 (E_RNA)
where:
Base-Base interactions energy: -33.089
where: short stacking energy: -23.169
Base-Backbone interact. energy: 0.257
local terms energy: -53.511577
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -12.828
flat angles C4'-P-C4' energy: -11.002
flat angles P-C4'-P energy: -9.207
tors. eta vs tors. theta energy: -4.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -88.237542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.237542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.237542 (E_RNA)
where:
Base-Base interactions energy: -36.525
where: short stacking energy: -21.659
Base-Backbone interact. energy: -0.390
local terms energy: -51.322052
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -7.307
tors. eta vs tors. theta energy: -0.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -227.181070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.181070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.181070 (E_RNA)
where:
Base-Base interactions energy: -145.113
where: short stacking energy: -71.644
Base-Backbone interact. energy: -0.112
local terms energy: -81.956083
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -15.940
flat angles C4'-P-C4' energy: -17.650
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -23.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -227.206516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.206516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.206516 (E_RNA)
where:
Base-Base interactions energy: -142.875
where: short stacking energy: -73.546
Base-Backbone interact. energy: -0.650
local terms energy: -83.680869
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -13.156
tors. eta vs tors. theta energy: -23.090
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: 2
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -182.736759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.736759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.736759 (E_RNA)
where:
Base-Base interactions energy: -114.720
where: short stacking energy: -51.711
Base-Backbone interact. energy: 0.218
local terms energy: -68.234762
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -15.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -213.669463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.669463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.669463 (E_RNA)
where:
Base-Base interactions energy: -143.835
where: short stacking energy: -70.766
Base-Backbone interact. energy: -0.004
local terms energy: -69.830808
where:
bonds (distance) C4'-P energy: -8.074
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -8.617
tors. eta vs tors. theta energy: -22.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -180.961613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.961613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.961613 (E_RNA)
where:
Base-Base interactions energy: -115.081
where: short stacking energy: -56.455
Base-Backbone interact. energy: -0.104
local terms energy: -65.776694
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -12.444
flat angles C4'-P-C4' energy: -12.037
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -15.082
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: 380
Temperature: 1.150000
Total energy: -175.921383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.921383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.921383 (E_RNA)
where:
Base-Base interactions energy: -113.151
where: short stacking energy: -52.122
Base-Backbone interact. energy: -0.057
local terms energy: -62.713760
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -11.471
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -6.636
tors. eta vs tors. theta energy: -14.789
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: 7, replica: 6
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -88.842457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.842457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.842457 (E_RNA)
where:
Base-Base interactions energy: -31.788
where: short stacking energy: -31.788
Base-Backbone interact. energy: -0.290
local terms energy: -56.764307
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -9.682
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: -7.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -96.734520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.734520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.734520 (E_RNA)
where:
Base-Base interactions energy: -41.784
where: short stacking energy: -31.348
Base-Backbone interact. energy: -0.779
local terms energy: -54.171883
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -13.643
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -5.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -81.800085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.800085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.800085 (E_RNA)
where:
Base-Base interactions energy: -32.209
where: short stacking energy: -22.853
Base-Backbone interact. energy: -0.522
local terms energy: -49.069720
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -13.241
flat angles C4'-P-C4' energy: -9.295
flat angles P-C4'-P energy: -5.554
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: 10
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -89.621237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.621237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.621237 (E_RNA)
where:
Base-Base interactions energy: -46.577
where: short stacking energy: -28.210
Base-Backbone interact. energy: -0.503
local terms energy: -42.540484
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -9.622
flat angles P-C4'-P energy: -6.533
tors. eta vs tors. theta energy: 0.257
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: 4
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -233.259511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.259511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.259511 (E_RNA)
where:
Base-Base interactions energy: -155.383
where: short stacking energy: -69.266
Base-Backbone interact. energy: -0.609
local terms energy: -77.267831
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -11.874
tors. eta vs tors. theta energy: -21.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -214.179130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.179130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.179130 (E_RNA)
where:
Base-Base interactions energy: -132.283
where: short stacking energy: -67.047
Base-Backbone interact. energy: -0.000
local terms energy: -81.895863
where:
bonds (distance) C4'-P energy: -17.038
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -17.398
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -21.461
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: 381
Temperature: 1.000000
Total energy: -193.065138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.065138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.065138 (E_RNA)
where:
Base-Base interactions energy: -122.202
where: short stacking energy: -58.361
Base-Backbone interact. energy: -0.117
local terms energy: -70.746271
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -17.433
flat angles P-C4'-P energy: -8.737
tors. eta vs tors. theta energy: -15.058
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: 1
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -218.947729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.947729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.947729 (E_RNA)
where:
Base-Base interactions energy: -145.558
where: short stacking energy: -66.198
Base-Backbone interact. energy: -0.002
local terms energy: -73.388549
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -21.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -184.772796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.772796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.772796 (E_RNA)
where:
Base-Base interactions energy: -117.932
where: short stacking energy: -54.514
Base-Backbone interact. energy: -0.122
local terms energy: -66.718128
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -16.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -179.112458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.112458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.112458 (E_RNA)
where:
Base-Base interactions energy: -115.742
where: short stacking energy: -56.138
Base-Backbone interact. energy: -0.124
local terms energy: -63.246412
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -12.062
flat angles P-C4'-P energy: -8.571
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: 7, replica: 6
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -102.904186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.904186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.904186 (E_RNA)
where:
Base-Base interactions energy: -45.213
where: short stacking energy: -45.213
Base-Backbone interact. energy: -0.001
local terms energy: -57.690600
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -14.334
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -8.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -88.309718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.309718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.309718 (E_RNA)
where:
Base-Base interactions energy: -38.491
where: short stacking energy: -25.733
Base-Backbone interact. energy: -0.267
local terms energy: -49.551471
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -11.199
flat angles P-C4'-P energy: -7.289
tors. eta vs tors. theta energy: -1.803
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: 381
Temperature: 1.300000
Total energy: -82.175577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.175577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.175577 (E_RNA)
where:
Base-Base interactions energy: -36.645
where: short stacking energy: -31.006
Base-Backbone interact. energy: -0.878
local terms energy: -44.652239
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -8.242
flat angles P-C4'-P energy: -5.975
tors. eta vs tors. theta energy: 0.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -74.812340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.812340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.812340 (E_RNA)
where:
Base-Base interactions energy: -24.626
where: short stacking energy: -13.145
Base-Backbone interact. energy: 2.351
local terms energy: -52.536639
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -10.673
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: 0.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -228.523353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.523353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.523353 (E_RNA)
where:
Base-Base interactions energy: -145.240
where: short stacking energy: -75.740
Base-Backbone interact. energy: -0.155
local terms energy: -83.128748
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -18.035
flat angles P-C4'-P energy: -10.265
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: 5
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -210.340547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.340547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.340547 (E_RNA)
where:
Base-Base interactions energy: -128.645
where: short stacking energy: -67.992
Base-Backbone interact. energy: -0.689
local terms energy: -81.007217
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -14.007
tors. eta vs tors. theta energy: -19.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -218.011214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.011214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.011214 (E_RNA)
where:
Base-Base interactions energy: -145.986
where: short stacking energy: -70.759
Base-Backbone interact. energy: -0.415
local terms energy: -71.610135
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -17.572
flat angles P-C4'-P energy: -6.918
tors. eta vs tors. theta energy: -20.068
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: 2
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -191.788894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.788894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.788894 (E_RNA)
where:
Base-Base interactions energy: -121.919
where: short stacking energy: -57.512
Base-Backbone interact. energy: 0.877
local terms energy: -70.747094
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -4.193
tors. eta vs tors. theta energy: -17.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -173.999081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.999081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.999081 (E_RNA)
where:
Base-Base interactions energy: -102.784
where: short stacking energy: -54.340
Base-Backbone interact. energy: 0.234
local terms energy: -71.448622
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -17.546
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -7.604
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: 6, replica: 7
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -188.745522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.745522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.745522 (E_RNA)
where:
Base-Base interactions energy: -122.689
where: short stacking energy: -56.687
Base-Backbone interact. energy: -0.019
local terms energy: -66.037352
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -9.303
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: 6
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -117.447649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.447649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.447649 (E_RNA)
where:
Base-Base interactions energy: -53.503
where: short stacking energy: -49.380
Base-Backbone interact. energy: -0.000
local terms energy: -63.944406
where:
bonds (distance) C4'-P energy: -10.889
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -15.720
flat angles P-C4'-P energy: -6.873
tors. eta vs tors. theta energy: -15.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -82.069380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.069380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.069380 (E_RNA)
where:
Base-Base interactions energy: -35.115
where: short stacking energy: -31.129
Base-Backbone interact. energy: -0.184
local terms energy: -46.770159
where:
bonds (distance) C4'-P energy: -7.769
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -9.081
flat angles P-C4'-P energy: -10.716
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: 9, replica: 10
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -101.095331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.095331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.095331 (E_RNA)
where:
Base-Base interactions energy: -47.009
where: short stacking energy: -36.481
Base-Backbone interact. energy: -1.074
local terms energy: -53.011806
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -7.710
flat angles C4'-P-C4' energy: -11.396
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -9.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -77.110115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.110115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.110115 (E_RNA)
where:
Base-Base interactions energy: -34.732
where: short stacking energy: -26.138
Base-Backbone interact. energy: -1.556
local terms energy: -40.822272
where:
bonds (distance) C4'-P energy: -5.711
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: 1.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -232.006219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.006219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.006219 (E_RNA)
where:
Base-Base interactions energy: -152.151
where: short stacking energy: -72.211
Base-Backbone interact. energy: -0.053
local terms energy: -79.801704
where:
bonds (distance) C4'-P energy: -16.375
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -16.971
flat angles P-C4'-P energy: -11.475
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: 2, replica: 1
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -220.831509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.831509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.831509 (E_RNA)
where:
Base-Base interactions energy: -141.329
where: short stacking energy: -71.011
Base-Backbone interact. energy: -0.039
local terms energy: -79.464155
where:
bonds (distance) C4'-P energy: -17.563
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -10.855
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: 3, replica: 5
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -217.703599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.703599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.703599 (E_RNA)
where:
Base-Base interactions energy: -138.496
where: short stacking energy: -59.136
Base-Backbone interact. energy: -0.599
local terms energy: -78.608610
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -19.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -185.474345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.474345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.474345 (E_RNA)
where:
Base-Base interactions energy: -120.820
where: short stacking energy: -61.130
Base-Backbone interact. energy: -0.276
local terms energy: -64.377932
where:
bonds (distance) C4'-P energy: -8.468
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -14.659
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: 383
Temperature: 1.100000
Total energy: -187.511264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.511264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.511264 (E_RNA)
where:
Base-Base interactions energy: -131.477
where: short stacking energy: -57.775
Base-Backbone interact. energy: -0.187
local terms energy: -55.846973
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -5.505
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -12.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -180.374991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.374991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.374991 (E_RNA)
where:
Base-Base interactions energy: -120.083
where: short stacking energy: -57.461
Base-Backbone interact. energy: 0.453
local terms energy: -60.744656
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -6.198
tors. eta vs tors. theta energy: -13.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -121.707685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.707685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.707685 (E_RNA)
where:
Base-Base interactions energy: -60.320
where: short stacking energy: -34.531
Base-Backbone interact. energy: -0.152
local terms energy: -61.235754
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -10.426
flat angles P-C4'-P energy: -10.992
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: 3
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -86.842809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.842809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.842809 (E_RNA)
where:
Base-Base interactions energy: -33.930
where: short stacking energy: -33.588
Base-Backbone interact. energy: -0.030
local terms energy: -52.882375
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -7.281
tors. eta vs tors. theta energy: -0.539
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: 9, replica: 10
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -111.206842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.206842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.206842 (E_RNA)
where:
Base-Base interactions energy: -61.015
where: short stacking energy: -29.016
Base-Backbone interact. energy: -0.753
local terms energy: -49.438294
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -12.283
flat angles P-C4'-P energy: -8.191
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: 10, replica: 9
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -84.970305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.970305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.970305 (E_RNA)
where:
Base-Base interactions energy: -36.885
where: short stacking energy: -35.919
Base-Backbone interact. energy: -0.118
local terms energy: -47.967882
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -10.309
flat angles C4'-P-C4' energy: -13.920
flat angles P-C4'-P energy: -5.007
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: 1, replica: 4
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -232.907936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.907936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.907936 (E_RNA)
where:
Base-Base interactions energy: -152.054
where: short stacking energy: -80.257
Base-Backbone interact. energy: 0.395
local terms energy: -81.248937
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -11.680
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -14.911
tors. eta vs tors. theta energy: -21.385
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: 1
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -233.622802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.622802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.622802 (E_RNA)
where:
Base-Base interactions energy: -153.115
where: short stacking energy: -77.629
Base-Backbone interact. energy: -0.001
local terms energy: -80.506574
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -18.091
flat angles P-C4'-P energy: -8.981
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: 5
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -219.967862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.967862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.967862 (E_RNA)
where:
Base-Base interactions energy: -143.316
where: short stacking energy: -70.285
Base-Backbone interact. energy: -0.041
local terms energy: -76.610816
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -16.646
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -18.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -192.550897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.550897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.550897 (E_RNA)
where:
Base-Base interactions energy: -130.695
where: short stacking energy: -59.547
Base-Backbone interact. energy: 0.045
local terms energy: -61.901232
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -12.098
flat angles C4'-P-C4' energy: -16.286
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -11.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -184.773707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.773707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.773707 (E_RNA)
where:
Base-Base interactions energy: -116.747
where: short stacking energy: -60.686
Base-Backbone interact. energy: -0.129
local terms energy: -67.898091
where:
bonds (distance) C4'-P energy: -17.895
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -12.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -165.357322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.357322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.357322 (E_RNA)
where:
Base-Base interactions energy: -111.191
where: short stacking energy: -46.096
Base-Backbone interact. energy: -0.225
local terms energy: -53.941263
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -12.735
flat angles P-C4'-P energy: -5.962
tors. eta vs tors. theta energy: -8.084
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: 7, replica: 6
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -118.208771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.208771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.208771 (E_RNA)
where:
Base-Base interactions energy: -56.079
where: short stacking energy: -29.048
Base-Backbone interact. energy: 0.189
local terms energy: -62.319569
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -8.311
tors. eta vs tors. theta energy: -7.738
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: 3
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -81.775629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.775629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.775629 (E_RNA)
where:
Base-Base interactions energy: -41.073
where: short stacking energy: -26.648
Base-Backbone interact. energy: 1.874
local terms energy: -42.576884
where:
bonds (distance) C4'-P energy: -8.316
bonds (distance) P-C4' energy: -9.367
flat angles C4'-P-C4' energy: -11.611
flat angles P-C4'-P energy: -7.331
tors. eta vs tors. theta energy: -5.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -82.213615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.213615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.213615 (E_RNA)
where:
Base-Base interactions energy: -29.095
where: short stacking energy: -25.752
Base-Backbone interact. energy: -0.033
local terms energy: -53.085569
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -9.279
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: 10, replica: 10
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -74.866902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.866902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.866902 (E_RNA)
where:
Base-Base interactions energy: -29.302
where: short stacking energy: -25.522
Base-Backbone interact. energy: 1.653
local terms energy: -47.218066
where:
bonds (distance) C4'-P energy: -12.278
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -1.091
tors. eta vs tors. theta energy: -2.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -220.051633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.051633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.051633 (E_RNA)
where:
Base-Base interactions energy: -143.885
where: short stacking energy: -67.103
Base-Backbone interact. energy: -0.020
local terms energy: -76.146499
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -9.420
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: 5
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -225.518733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.518733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.518733 (E_RNA)
where:
Base-Base interactions energy: -146.473
where: short stacking energy: -63.772
Base-Backbone interact. energy: -0.030
local terms energy: -79.015665
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -10.706
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: 3, replica: 1
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -225.245347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.245347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.245347 (E_RNA)
where:
Base-Base interactions energy: -146.490
where: short stacking energy: -70.189
Base-Backbone interact. energy: -0.006
local terms energy: -78.749085
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -18.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -192.682690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.682690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.682690 (E_RNA)
where:
Base-Base interactions energy: -117.256
where: short stacking energy: -59.397
Base-Backbone interact. energy: 0.372
local terms energy: -75.798426
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -10.996
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: 5, replica: 8
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -193.283262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.283262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.283262 (E_RNA)
where:
Base-Base interactions energy: -133.075
where: short stacking energy: -57.948
Base-Backbone interact. energy: -0.291
local terms energy: -59.916845
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -13.218
flat angles P-C4'-P energy: -6.835
tors. eta vs tors. theta energy: -12.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -171.437410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.437410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.437410 (E_RNA)
where:
Base-Base interactions energy: -112.944
where: short stacking energy: -43.076
Base-Backbone interact. energy: -0.091
local terms energy: -58.401819
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -12.271
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -2.965
tors. eta vs tors. theta energy: -10.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -92.046490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.046490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.046490 (E_RNA)
where:
Base-Base interactions energy: -41.642
where: short stacking energy: -29.025
Base-Backbone interact. energy: -0.023
local terms energy: -50.380913
where:
bonds (distance) C4'-P energy: -12.390
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -8.892
flat angles P-C4'-P energy: -4.575
tors. eta vs tors. theta energy: -6.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -78.751753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.751753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.751753 (E_RNA)
where:
Base-Base interactions energy: -27.751
where: short stacking energy: -27.751
Base-Backbone interact. energy: 0.426
local terms energy: -51.426469
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -11.395
flat angles C4'-P-C4' energy: -13.689
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -1.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -87.428505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.428505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.428505 (E_RNA)
where:
Base-Base interactions energy: -37.406
where: short stacking energy: -32.263
Base-Backbone interact. energy: -1.309
local terms energy: -48.713293
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -13.746
flat angles C4'-P-C4' energy: -9.975
flat angles P-C4'-P energy: -8.541
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: 10
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -86.679850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.679850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.679850 (E_RNA)
where:
Base-Base interactions energy: -37.709
where: short stacking energy: -35.335
Base-Backbone interact. energy: -0.461
local terms energy: -48.509087
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -7.410
flat angles P-C4'-P energy: -8.620
tors. eta vs tors. theta energy: -1.571
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: 5
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -229.845571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.845571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.845571 (E_RNA)
where:
Base-Base interactions energy: -150.572
where: short stacking energy: -73.318
Base-Backbone interact. energy: 0.180
local terms energy: -79.453490
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -14.279
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: 2, replica: 4
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -224.615991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.615991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.615991 (E_RNA)
where:
Base-Base interactions energy: -148.456
where: short stacking energy: -73.217
Base-Backbone interact. energy: -0.003
local terms energy: -76.156578
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -8.083
tors. eta vs tors. theta energy: -20.526
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: 1
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -219.017202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.017202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.017202 (E_RNA)
where:
Base-Base interactions energy: -143.316
where: short stacking energy: -73.214
Base-Backbone interact. energy: -0.190
local terms energy: -75.511351
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -12.593
flat angles P-C4'-P energy: -13.938
tors. eta vs tors. theta energy: -20.489
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: 7
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -193.214771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.214771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.214771 (E_RNA)
where:
Base-Base interactions energy: -128.316
where: short stacking energy: -69.569
Base-Backbone interact. energy: -0.097
local terms energy: -64.802107
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -9.660
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -18.979
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: 8
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -188.313564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.313564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.313564 (E_RNA)
where:
Base-Base interactions energy: -124.769
where: short stacking energy: -59.566
Base-Backbone interact. energy: -0.242
local terms energy: -63.302383
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -11.960
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: -10.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -187.773332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.773332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.773332 (E_RNA)
where:
Base-Base interactions energy: -121.458
where: short stacking energy: -58.233
Base-Backbone interact. energy: -0.106
local terms energy: -66.210184
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -12.753
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: -13.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -90.616006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.616006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.616006 (E_RNA)
where:
Base-Base interactions energy: -36.247
where: short stacking energy: -31.720
Base-Backbone interact. energy: -0.201
local terms energy: -54.167970
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -6.768
tors. eta vs tors. theta energy: -2.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -80.132954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.132954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.132954 (E_RNA)
where:
Base-Base interactions energy: -27.397
where: short stacking energy: -22.429
Base-Backbone interact. energy: -0.241
local terms energy: -52.494476
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -11.151
flat angles P-C4'-P energy: -7.928
tors. eta vs tors. theta energy: -0.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -96.918369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.918369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.918369 (E_RNA)
where:
Base-Base interactions energy: -51.513
where: short stacking energy: -27.450
Base-Backbone interact. energy: 2.421
local terms energy: -47.826461
where:
bonds (distance) C4'-P energy: -9.292
bonds (distance) P-C4' energy: -12.468
flat angles C4'-P-C4' energy: -12.325
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -3.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -87.369380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.369380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.369380 (E_RNA)
where:
Base-Base interactions energy: -40.219
where: short stacking energy: -40.219
Base-Backbone interact. energy: -0.046
local terms energy: -47.105111
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -7.030
flat angles C4'-P-C4' energy: -12.411
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -3.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -228.903598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.903598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.903598 (E_RNA)
where:
Base-Base interactions energy: -157.286
where: short stacking energy: -73.719
Base-Backbone interact. energy: -0.261
local terms energy: -71.357050
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -10.782
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: 2, replica: 1
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -224.478059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.478059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.478059 (E_RNA)
where:
Base-Base interactions energy: -149.833
where: short stacking energy: -70.065
Base-Backbone interact. energy: -0.035
local terms energy: -74.610353
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -15.429
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -20.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -216.622315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.622315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.622315 (E_RNA)
where:
Base-Base interactions energy: -141.780
where: short stacking energy: -67.904
Base-Backbone interact. energy: -0.404
local terms energy: -74.438224
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -17.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -186.401246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.401246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.401246 (E_RNA)
where:
Base-Base interactions energy: -126.157
where: short stacking energy: -64.929
Base-Backbone interact. energy: -0.001
local terms energy: -60.242692
where:
bonds (distance) C4'-P energy: -8.464
bonds (distance) P-C4' energy: -12.711
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -8.404
tors. eta vs tors. theta energy: -16.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -181.484276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.484276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.484276 (E_RNA)
where:
Base-Base interactions energy: -115.992
where: short stacking energy: -54.818
Base-Backbone interact. energy: -0.071
local terms energy: -65.420801
where:
bonds (distance) C4'-P energy: -15.338
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -9.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -173.596184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.596184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.596184 (E_RNA)
where:
Base-Base interactions energy: -106.449
where: short stacking energy: -50.453
Base-Backbone interact. energy: -0.194
local terms energy: -66.953501
where:
bonds (distance) C4'-P energy: -15.056
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -12.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -93.811770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.811770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.811770 (E_RNA)
where:
Base-Base interactions energy: -37.010
where: short stacking energy: -25.965
Base-Backbone interact. energy: -0.086
local terms energy: -56.715727
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -13.033
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -3.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -101.435935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.435935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.435935 (E_RNA)
where:
Base-Base interactions energy: -47.255
where: short stacking energy: -33.551
Base-Backbone interact. energy: -1.409
local terms energy: -52.772070
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -5.765
tors. eta vs tors. theta energy: -6.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -79.321631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.321631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.321631 (E_RNA)
where:
Base-Base interactions energy: -28.081
where: short stacking energy: -23.928
Base-Backbone interact. energy: -0.283
local terms energy: -50.958145
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: 1.127
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: 3
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -109.989455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.989455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.989455 (E_RNA)
where:
Base-Base interactions energy: -51.608
where: short stacking energy: -23.229
Base-Backbone interact. energy: -1.114
local terms energy: -57.266810
where:
bonds (distance) C4'-P energy: -12.044
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -12.098
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -6.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -224.240844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.240844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.240844 (E_RNA)
where:
Base-Base interactions energy: -146.643
where: short stacking energy: -71.346
Base-Backbone interact. energy: -0.340
local terms energy: -77.257728
where:
bonds (distance) C4'-P energy: -17.219
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -9.769
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: 388
Temperature: 0.950000
Total energy: -226.477447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.477447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.477447 (E_RNA)
where:
Base-Base interactions energy: -148.032
where: short stacking energy: -69.638
Base-Backbone interact. energy: -0.248
local terms energy: -78.197369
where:
bonds (distance) C4'-P energy: -17.584
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -16.614
flat angles P-C4'-P energy: -7.282
tors. eta vs tors. theta energy: -20.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -219.915812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.915812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.915812 (E_RNA)
where:
Base-Base interactions energy: -146.903
where: short stacking energy: -66.814
Base-Backbone interact. energy: -0.002
local terms energy: -73.010500
where:
bonds (distance) C4'-P energy: -16.860
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -11.058
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: -17.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -186.434073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.434073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.434073 (E_RNA)
where:
Base-Base interactions energy: -122.327
where: short stacking energy: -62.980
Base-Backbone interact. energy: -0.103
local terms energy: -64.004227
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -11.549
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -9.701
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: 5, replica: 2
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -185.946535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.946535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.946535 (E_RNA)
where:
Base-Base interactions energy: -120.120
where: short stacking energy: -50.524
Base-Backbone interact. energy: -0.126
local terms energy: -65.700631
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -10.170
flat angles P-C4'-P energy: -13.010
tors. eta vs tors. theta energy: -12.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -177.531254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.531254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.531254 (E_RNA)
where:
Base-Base interactions energy: -113.744
where: short stacking energy: -66.160
Base-Backbone interact. energy: -0.000
local terms energy: -63.787111
where:
bonds (distance) C4'-P energy: -10.915
bonds (distance) P-C4' energy: -14.429
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -8.432
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: 7, replica: 10
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -91.050213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.050213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.050213 (E_RNA)
where:
Base-Base interactions energy: -36.823
where: short stacking energy: -34.041
Base-Backbone interact. energy: -0.094
local terms energy: -54.132908
where:
bonds (distance) C4'-P energy: -7.107
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -8.147
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: 6
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -91.408207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.408207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.408207 (E_RNA)
where:
Base-Base interactions energy: -30.972
where: short stacking energy: -25.384
Base-Backbone interact. energy: -0.287
local terms energy: -60.148425
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: -7.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -85.672095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.672095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.672095 (E_RNA)
where:
Base-Base interactions energy: -40.408
where: short stacking energy: -32.421
Base-Backbone interact. energy: -0.187
local terms energy: -45.076934
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -13.249
flat angles C4'-P-C4' energy: -11.306
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: 0.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -79.217514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.217514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.217514 (E_RNA)
where:
Base-Base interactions energy: -25.063
where: short stacking energy: -22.888
Base-Backbone interact. energy: -0.205
local terms energy: -53.949525
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -1.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -225.325498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.325498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.325498 (E_RNA)
where:
Base-Base interactions energy: -147.638
where: short stacking energy: -67.659
Base-Backbone interact. energy: -0.108
local terms energy: -77.579736
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -13.651
tors. eta vs tors. theta energy: -18.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -224.108463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.108463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.108463 (E_RNA)
where:
Base-Base interactions energy: -148.790
where: short stacking energy: -68.797
Base-Backbone interact. energy: -0.002
local terms energy: -75.316176
where:
bonds (distance) C4'-P energy: -12.673
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -12.144
tors. eta vs tors. theta energy: -18.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -223.161353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.161353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.161353 (E_RNA)
where:
Base-Base interactions energy: -149.309
where: short stacking energy: -74.167
Base-Backbone interact. energy: -0.172
local terms energy: -73.680335
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -16.255
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: 2
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -191.853364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.853364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.853364 (E_RNA)
where:
Base-Base interactions energy: -133.831
where: short stacking energy: -48.693
Base-Backbone interact. energy: -0.914
local terms energy: -57.108894
where:
bonds (distance) C4'-P energy: -18.387
bonds (distance) P-C4' energy: -16.212
flat angles C4'-P-C4' energy: -9.562
flat angles P-C4'-P energy: -4.002
tors. eta vs tors. theta energy: -8.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -182.968197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.968197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.968197 (E_RNA)
where:
Base-Base interactions energy: -121.762
where: short stacking energy: -62.121
Base-Backbone interact. energy: 0.682
local terms energy: -61.887660
where:
bonds (distance) C4'-P energy: -11.438
bonds (distance) P-C4' energy: -15.167
flat angles C4'-P-C4' energy: -10.527
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -16.172
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: 7
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -178.904617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.904617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.904617 (E_RNA)
where:
Base-Base interactions energy: -115.187
where: short stacking energy: -47.731
Base-Backbone interact. energy: -0.463
local terms energy: -63.254591
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -8.308
tors. eta vs tors. theta energy: -10.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -79.960126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.960126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.960126 (E_RNA)
where:
Base-Base interactions energy: -39.481
where: short stacking energy: -24.172
Base-Backbone interact. energy: -0.294
local terms energy: -40.185067
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -9.116
flat angles P-C4'-P energy: -6.014
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: 8, replica: 9
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -87.411884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.411884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.411884 (E_RNA)
where:
Base-Base interactions energy: -32.775
where: short stacking energy: -32.692
Base-Backbone interact. energy: -0.313
local terms energy: -54.324080
where:
bonds (distance) C4'-P energy: -10.481
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -6.451
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: 6
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -80.053696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.053696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.053696 (E_RNA)
where:
Base-Base interactions energy: -30.734
where: short stacking energy: -30.414
Base-Backbone interact. energy: -0.359
local terms energy: -48.961200
where:
bonds (distance) C4'-P energy: -7.685
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -6.880
tors. eta vs tors. theta energy: -3.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -80.815195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.815195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.815195 (E_RNA)
where:
Base-Base interactions energy: -38.139
where: short stacking energy: -28.821
Base-Backbone interact. energy: 0.519
local terms energy: -43.195587
where:
bonds (distance) C4'-P energy: -11.862
bonds (distance) P-C4' energy: -10.287
flat angles C4'-P-C4' energy: -10.590
flat angles P-C4'-P energy: -6.635
tors. eta vs tors. theta energy: -3.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -227.247513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.247513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.247513 (E_RNA)
where:
Base-Base interactions energy: -151.998
where: short stacking energy: -73.232
Base-Backbone interact. energy: -0.005
local terms energy: -75.244543
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -15.066
flat angles C4'-P-C4' energy: -17.682
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -20.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -223.825914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.825914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.825914 (E_RNA)
where:
Base-Base interactions energy: -148.187
where: short stacking energy: -71.063
Base-Backbone interact. energy: -0.016
local terms energy: -75.623810
where:
bonds (distance) C4'-P energy: -11.418
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -9.947
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: 1
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -212.178037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.178037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.178037 (E_RNA)
where:
Base-Base interactions energy: -142.108
where: short stacking energy: -70.938
Base-Backbone interact. energy: -0.578
local terms energy: -69.492060
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -14.736
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -7.435
tors. eta vs tors. theta energy: -16.748
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: 390
Temperature: 1.050000
Total energy: -186.614193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.614193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.614193 (E_RNA)
where:
Base-Base interactions energy: -117.720
where: short stacking energy: -56.522
Base-Backbone interact. energy: -0.904
local terms energy: -67.990232
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -17.048
flat angles P-C4'-P energy: -10.951
tors. eta vs tors. theta energy: -14.499
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: 7
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -208.128553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.128553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.128553 (E_RNA)
where:
Base-Base interactions energy: -140.428
where: short stacking energy: -64.471
Base-Backbone interact. energy: -0.034
local terms energy: -67.665682
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -13.335
flat angles C4'-P-C4' energy: -16.156
flat angles P-C4'-P energy: -4.479
tors. eta vs tors. theta energy: -18.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -192.697347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.697347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.697347 (E_RNA)
where:
Base-Base interactions energy: -133.128
where: short stacking energy: -62.959
Base-Backbone interact. energy: -0.045
local terms energy: -59.524447
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -11.062
flat angles C4'-P-C4' energy: -10.270
flat angles P-C4'-P energy: -11.280
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: 9
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -104.280091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.280091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.280091 (E_RNA)
where:
Base-Base interactions energy: -50.765
where: short stacking energy: -30.157
Base-Backbone interact. energy: -0.031
local terms energy: -53.484303
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -9.840
flat angles P-C4'-P energy: -6.393
tors. eta vs tors. theta energy: -5.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -83.362671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.362671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.362671 (E_RNA)
where:
Base-Base interactions energy: -38.960
where: short stacking energy: -22.239
Base-Backbone interact. energy: -0.452
local terms energy: -43.950675
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -15.056
flat angles C4'-P-C4' energy: -8.819
flat angles P-C4'-P energy: -4.497
tors. eta vs tors. theta energy: -2.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -79.448490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.448490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.448490 (E_RNA)
where:
Base-Base interactions energy: -36.374
where: short stacking energy: -22.096
Base-Backbone interact. energy: 0.566
local terms energy: -43.639627
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -12.913
flat angles C4'-P-C4' energy: -10.745
flat angles P-C4'-P energy: -6.306
tors. eta vs tors. theta energy: 0.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -82.172845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.172845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.172845 (E_RNA)
where:
Base-Base interactions energy: -36.625
where: short stacking energy: -36.029
Base-Backbone interact. energy: -0.067
local terms energy: -45.480168
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -5.780
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -7.087
tors. eta vs tors. theta energy: -8.089
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: 5
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -226.110328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.110328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.110328 (E_RNA)
where:
Base-Base interactions energy: -156.391
where: short stacking energy: -77.184
Base-Backbone interact. energy: 0.965
local terms energy: -70.684455
where:
bonds (distance) C4'-P energy: -6.354
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -16.435
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -20.368
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: 2, replica: 1
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -208.482212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.482212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.482212 (E_RNA)
where:
Base-Base interactions energy: -131.527
where: short stacking energy: -64.620
Base-Backbone interact. energy: -0.004
local terms energy: -76.950678
where:
bonds (distance) C4'-P energy: -17.270
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -14.782
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: 4
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -221.978121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.978121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.978121 (E_RNA)
where:
Base-Base interactions energy: -153.653
where: short stacking energy: -63.530
Base-Backbone interact. energy: -0.464
local terms energy: -67.860574
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -2.112
tors. eta vs tors. theta energy: -20.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -207.823349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.823349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.823349 (E_RNA)
where:
Base-Base interactions energy: -152.257
where: short stacking energy: -62.915
Base-Backbone interact. energy: 1.185
local terms energy: -56.750768
where:
bonds (distance) C4'-P energy: -9.167
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -10.068
flat angles P-C4'-P energy: -8.328
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: 5, replica: 2
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -189.516655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.516655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.516655 (E_RNA)
where:
Base-Base interactions energy: -125.587
where: short stacking energy: -63.409
Base-Backbone interact. energy: -0.054
local terms energy: -63.875901
where:
bonds (distance) C4'-P energy: -11.593
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -13.129
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: 8
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -199.890543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.890543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.890543 (E_RNA)
where:
Base-Base interactions energy: -129.245
where: short stacking energy: -68.463
Base-Backbone interact. energy: -0.000
local terms energy: -70.644846
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: -19.080
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: 9
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -88.477159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.477159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.477159 (E_RNA)
where:
Base-Base interactions energy: -36.667
where: short stacking energy: -32.784
Base-Backbone interact. energy: -0.007
local terms energy: -51.802662
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -8.993
flat angles P-C4'-P energy: -6.642
tors. eta vs tors. theta energy: -3.243
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: 8, replica: 3
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -88.869894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.869894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.869894 (E_RNA)
where:
Base-Base interactions energy: -30.747
where: short stacking energy: -31.019
Base-Backbone interact. energy: 0.476
local terms energy: -58.599292
where:
bonds (distance) C4'-P energy: -13.220
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -11.570
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: -5.881
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: 9, replica: 10
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -85.894877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.894877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.894877 (E_RNA)
where:
Base-Base interactions energy: -31.791
where: short stacking energy: -31.249
Base-Backbone interact. energy: -0.051
local terms energy: -54.053309
where:
bonds (distance) C4'-P energy: -17.746
bonds (distance) P-C4' energy: -10.001
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -5.845
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: 6
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -78.416811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.416811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.416811 (E_RNA)
where:
Base-Base interactions energy: -25.690
where: short stacking energy: -25.890
Base-Backbone interact. energy: -0.059
local terms energy: -52.667477
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -12.219
flat angles P-C4'-P energy: -6.414
tors. eta vs tors. theta energy: -2.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -228.468052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.468052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.468052 (E_RNA)
where:
Base-Base interactions energy: -151.211
where: short stacking energy: -69.238
Base-Backbone interact. energy: 1.321
local terms energy: -78.578312
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -13.314
tors. eta vs tors. theta energy: -20.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -212.330246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.330246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.330246 (E_RNA)
where:
Base-Base interactions energy: -145.754
where: short stacking energy: -56.761
Base-Backbone interact. energy: -0.002
local terms energy: -66.574423
where:
bonds (distance) C4'-P energy: -11.460
bonds (distance) P-C4' energy: -15.496
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -14.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -223.526259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.526259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.526259 (E_RNA)
where:
Base-Base interactions energy: -144.086
where: short stacking energy: -68.120
Base-Backbone interact. energy: -0.001
local terms energy: -79.439560
where:
bonds (distance) C4'-P energy: -10.643
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -18.069
flat angles P-C4'-P energy: -13.248
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: 7
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -204.710761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.710761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.710761 (E_RNA)
where:
Base-Base interactions energy: -128.534
where: short stacking energy: -60.487
Base-Backbone interact. energy: -1.298
local terms energy: -74.879032
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -12.695
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: 5, replica: 8
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -183.625651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.625651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.625651 (E_RNA)
where:
Base-Base interactions energy: -114.891
where: short stacking energy: -57.234
Base-Backbone interact. energy: 0.244
local terms energy: -68.978565
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -7.973
tors. eta vs tors. theta energy: -13.141
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: 2
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -193.216873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.216873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.216873 (E_RNA)
where:
Base-Base interactions energy: -132.107
where: short stacking energy: -73.911
Base-Backbone interact. energy: -0.042
local terms energy: -61.068392
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -12.389
flat angles C4'-P-C4' energy: -10.728
flat angles P-C4'-P energy: -4.209
tors. eta vs tors. theta energy: -18.717
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: 9
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -95.136807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.136807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.136807 (E_RNA)
where:
Base-Base interactions energy: -44.262
where: short stacking energy: -38.950
Base-Backbone interact. energy: 1.054
local terms energy: -51.928792
where:
bonds (distance) C4'-P energy: -13.269
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -11.383
flat angles P-C4'-P energy: -4.664
tors. eta vs tors. theta energy: -9.353
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: 3
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -88.810391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.810391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.810391 (E_RNA)
where:
Base-Base interactions energy: -38.478
where: short stacking energy: -38.478
Base-Backbone interact. energy: -0.233
local terms energy: -50.099763
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -3.756
flat angles P-C4'-P energy: -10.045
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: 6
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -79.192312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.192312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.192312 (E_RNA)
where:
Base-Base interactions energy: -41.853
where: short stacking energy: -24.701
Base-Backbone interact. energy: -0.171
local terms energy: -37.167849
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -5.760
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -5.870
tors. eta vs tors. theta energy: -0.907
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: 10, replica: 10
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -80.734038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.734038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.734038 (E_RNA)
where:
Base-Base interactions energy: -25.743
where: short stacking energy: -25.823
Base-Backbone interact. energy: -0.334
local terms energy: -54.657012
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -7.986
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: 1, replica: 5
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -228.648362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.648362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.648362 (E_RNA)
where:
Base-Base interactions energy: -157.759
where: short stacking energy: -82.609
Base-Backbone interact. energy: 1.404
local terms energy: -72.293696
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -16.192
flat angles P-C4'-P energy: -6.675
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: 2, replica: 4
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -229.551978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.551978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.551978 (E_RNA)
where:
Base-Base interactions energy: -154.009
where: short stacking energy: -74.169
Base-Backbone interact. energy: -0.002
local terms energy: -75.540291
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -20.234
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: 3, replica: 1
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -220.886048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.886048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.886048 (E_RNA)
where:
Base-Base interactions energy: -145.637
where: short stacking energy: -68.917
Base-Backbone interact. energy: -0.088
local terms energy: -75.161729
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -18.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -190.749009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.749009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.749009 (E_RNA)
where:
Base-Base interactions energy: -116.486
where: short stacking energy: -59.005
Base-Backbone interact. energy: -0.094
local terms energy: -74.168977
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -16.915
flat angles P-C4'-P energy: -8.397
tors. eta vs tors. theta energy: -16.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -182.761238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.761238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.761238 (E_RNA)
where:
Base-Base interactions energy: -118.537
where: short stacking energy: -49.617
Base-Backbone interact. energy: 0.809
local terms energy: -65.032568
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -8.125
tors. eta vs tors. theta energy: -9.750
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: 2
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -184.561855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.561855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.561855 (E_RNA)
where:
Base-Base interactions energy: -119.928
where: short stacking energy: -55.306
Base-Backbone interact. energy: -0.279
local terms energy: -64.355404
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -11.893
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -6.514
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: 9
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -101.252579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.252579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.252579 (E_RNA)
where:
Base-Base interactions energy: -58.419
where: short stacking energy: -30.885
Base-Backbone interact. energy: -0.538
local terms energy: -42.295611
where:
bonds (distance) C4'-P energy: -15.157
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -7.473
flat angles P-C4'-P energy: -2.903
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: 8, replica: 6
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -87.420632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.420632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.420632 (E_RNA)
where:
Base-Base interactions energy: -42.639
where: short stacking energy: -20.786
Base-Backbone interact. energy: -0.294
local terms energy: -44.487723
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -8.519
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: 9, replica: 3
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -85.627469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.627469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.627469 (E_RNA)
where:
Base-Base interactions energy: -28.516
where: short stacking energy: -28.516
Base-Backbone interact. energy: -0.017
local terms energy: -57.094961
where:
bonds (distance) C4'-P energy: -9.035
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -9.563
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: 10
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -69.745219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.745219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.745219 (E_RNA)
where:
Base-Base interactions energy: -28.343
where: short stacking energy: -24.748
Base-Backbone interact. energy: -0.291
local terms energy: -41.112093
where:
bonds (distance) C4'-P energy: -8.646
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -11.281
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: 3.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -233.210761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.210761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.210761 (E_RNA)
where:
Base-Base interactions energy: -154.811
where: short stacking energy: -70.355
Base-Backbone interact. energy: 0.203
local terms energy: -78.602124
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -17.688
flat angles P-C4'-P energy: -12.699
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: 2, replica: 5
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -222.268828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.268828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.268828 (E_RNA)
where:
Base-Base interactions energy: -146.980
where: short stacking energy: -75.499
Base-Backbone interact. energy: -0.005
local terms energy: -75.283177
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -12.340
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -9.438
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: 3, replica: 1
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -231.242089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.242089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.242089 (E_RNA)
where:
Base-Base interactions energy: -150.415
where: short stacking energy: -67.521
Base-Backbone interact. energy: -0.260
local terms energy: -80.567430
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -18.106
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -21.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -189.536770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.536770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.536770 (E_RNA)
where:
Base-Base interactions energy: -127.288
where: short stacking energy: -63.569
Base-Backbone interact. energy: -0.036
local terms energy: -62.212865
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -5.674
tors. eta vs tors. theta energy: -15.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -186.415178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.415178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.415178 (E_RNA)
where:
Base-Base interactions energy: -115.542
where: short stacking energy: -55.290
Base-Backbone interact. energy: -0.104
local terms energy: -70.769980
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -7.494
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: 394
Temperature: 1.150000
Total energy: -181.366142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.366142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.366142 (E_RNA)
where:
Base-Base interactions energy: -115.050
where: short stacking energy: -48.767
Base-Backbone interact. energy: -1.515
local terms energy: -64.801896
where:
bonds (distance) C4'-P energy: -14.647
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -10.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -109.022821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.022821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.022821 (E_RNA)
where:
Base-Base interactions energy: -48.294
where: short stacking energy: -42.247
Base-Backbone interact. energy: -0.086
local terms energy: -60.642330
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -16.607
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -4.317
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: 8, replica: 9
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -84.987078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.987078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.987078 (E_RNA)
where:
Base-Base interactions energy: -30.186
where: short stacking energy: -30.186
Base-Backbone interact. energy: -0.168
local terms energy: -54.633280
where:
bonds (distance) C4'-P energy: -8.810
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: -6.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -82.868160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.868160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.868160 (E_RNA)
where:
Base-Base interactions energy: -36.291
where: short stacking energy: -32.457
Base-Backbone interact. energy: -0.292
local terms energy: -46.285243
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -7.281
flat angles P-C4'-P energy: -6.018
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: 10, replica: 10
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -78.703217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.703217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.703217 (E_RNA)
where:
Base-Base interactions energy: -30.843
where: short stacking energy: -20.694
Base-Backbone interact. energy: -0.105
local terms energy: -47.755161
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -9.879
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: 0.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -235.863309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.863309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.863309 (E_RNA)
where:
Base-Base interactions energy: -161.241
where: short stacking energy: -68.267
Base-Backbone interact. energy: 0.632
local terms energy: -75.254872
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -17.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -217.684567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.684567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.684567 (E_RNA)
where:
Base-Base interactions energy: -145.380
where: short stacking energy: -67.640
Base-Backbone interact. energy: 0.144
local terms energy: -72.448761
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -6.585
tors. eta vs tors. theta energy: -21.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -231.519290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.519290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.519290 (E_RNA)
where:
Base-Base interactions energy: -150.045
where: short stacking energy: -74.433
Base-Backbone interact. energy: -0.010
local terms energy: -81.464800
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -12.954
tors. eta vs tors. theta energy: -21.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -190.422056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.422056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.422056 (E_RNA)
where:
Base-Base interactions energy: -126.681
where: short stacking energy: -64.695
Base-Backbone interact. energy: -0.198
local terms energy: -63.542994
where:
bonds (distance) C4'-P energy: -9.337
bonds (distance) P-C4' energy: -11.851
flat angles C4'-P-C4' energy: -16.785
flat angles P-C4'-P energy: -5.980
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: 5, replica: 8
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -189.192171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.192171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.192171 (E_RNA)
where:
Base-Base interactions energy: -131.062
where: short stacking energy: -63.816
Base-Backbone interact. energy: -0.205
local terms energy: -57.925456
where:
bonds (distance) C4'-P energy: -6.841
bonds (distance) P-C4' energy: -10.111
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -10.240
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: 6, replica: 7
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -177.081126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.081126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.081126 (E_RNA)
where:
Base-Base interactions energy: -110.632
where: short stacking energy: -50.779
Base-Backbone interact. energy: -0.162
local terms energy: -66.287317
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -14.654
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -6.327
tors. eta vs tors. theta energy: -13.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -89.884799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.884799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.884799 (E_RNA)
where:
Base-Base interactions energy: -32.684
where: short stacking energy: -32.080
Base-Backbone interact. energy: -0.022
local terms energy: -57.178511
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -10.754
flat angles P-C4'-P energy: -12.910
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: 8, replica: 3
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -92.582925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.582925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.582925 (E_RNA)
where:
Base-Base interactions energy: -37.369
where: short stacking energy: -34.218
Base-Backbone interact. energy: -0.074
local terms energy: -55.139239
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -6.751
tors. eta vs tors. theta energy: -5.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -82.706966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.706966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.706966 (E_RNA)
where:
Base-Base interactions energy: -28.364
where: short stacking energy: -23.434
Base-Backbone interact. energy: -0.158
local terms energy: -54.184948
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -8.247
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -6.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -80.235584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.235584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.235584 (E_RNA)
where:
Base-Base interactions energy: -23.528
where: short stacking energy: -23.528
Base-Backbone interact. energy: -0.177
local terms energy: -56.531063
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -9.086
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: 1, replica: 4
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -232.931764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.931764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.931764 (E_RNA)
where:
Base-Base interactions energy: -154.124
where: short stacking energy: -73.681
Base-Backbone interact. energy: -0.694
local terms energy: -78.114125
where:
bonds (distance) C4'-P energy: -14.526
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -20.109
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: 1
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -217.287496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.287496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.287496 (E_RNA)
where:
Base-Base interactions energy: -140.386
where: short stacking energy: -65.702
Base-Backbone interact. energy: -0.046
local terms energy: -76.855589
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -15.940
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -22.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -221.427948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.427948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.427948 (E_RNA)
where:
Base-Base interactions energy: -149.257
where: short stacking energy: -74.154
Base-Backbone interact. energy: -0.001
local terms energy: -72.169796
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -12.166
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -22.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -210.246103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.246103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.246103 (E_RNA)
where:
Base-Base interactions energy: -143.453
where: short stacking energy: -63.799
Base-Backbone interact. energy: 0.689
local terms energy: -67.482158
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -10.956
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -15.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -177.724120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.724120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.724120 (E_RNA)
where:
Base-Base interactions energy: -110.881
where: short stacking energy: -55.008
Base-Backbone interact. energy: -0.087
local terms energy: -66.756252
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -12.656
tors. eta vs tors. theta energy: -10.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -205.502378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.502378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.502378 (E_RNA)
where:
Base-Base interactions energy: -141.250
where: short stacking energy: -61.820
Base-Backbone interact. energy: -0.726
local terms energy: -63.526672
where:
bonds (distance) C4'-P energy: -13.662
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: -14.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -93.525095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.525095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.525095 (E_RNA)
where:
Base-Base interactions energy: -35.508
where: short stacking energy: -31.319
Base-Backbone interact. energy: 0.971
local terms energy: -58.988094
where:
bonds (distance) C4'-P energy: -11.068
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -6.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -85.745656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.745656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.745656 (E_RNA)
where:
Base-Base interactions energy: -31.676
where: short stacking energy: -27.944
Base-Backbone interact. energy: -0.333
local terms energy: -53.736144
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -4.970
flat angles P-C4'-P energy: -10.669
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: 9
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -112.488676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.488676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.488676 (E_RNA)
where:
Base-Base interactions energy: -57.815
where: short stacking energy: -35.465
Base-Backbone interact. energy: -0.442
local terms energy: -54.231273
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -10.806
flat angles C4'-P-C4' energy: -12.705
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: -5.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -74.966552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.966552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.966552 (E_RNA)
where:
Base-Base interactions energy: -26.418
where: short stacking energy: -16.691
Base-Backbone interact. energy: -1.069
local terms energy: -47.478944
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -9.266
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: 2.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -227.614640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.614640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.614640 (E_RNA)
where:
Base-Base interactions energy: -145.437
where: short stacking energy: -72.034
Base-Backbone interact. energy: -0.004
local terms energy: -82.174156
where:
bonds (distance) C4'-P energy: -16.400
bonds (distance) P-C4' energy: -16.913
flat angles C4'-P-C4' energy: -17.036
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -21.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -222.630681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.630681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.630681 (E_RNA)
where:
Base-Base interactions energy: -142.995
where: short stacking energy: -66.108
Base-Backbone interact. energy: -0.474
local terms energy: -79.161430
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -16.409
flat angles C4'-P-C4' energy: -17.311
flat angles P-C4'-P energy: -11.077
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: 5
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -208.701533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.701533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.701533 (E_RNA)
where:
Base-Base interactions energy: -136.611
where: short stacking energy: -64.521
Base-Backbone interact. energy: -0.004
local terms energy: -72.087007
where:
bonds (distance) C4'-P energy: -11.713
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -9.646
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: 4, replica: 2
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -198.654222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.654222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.654222 (E_RNA)
where:
Base-Base interactions energy: -133.568
where: short stacking energy: -50.970
Base-Backbone interact. energy: -0.539
local terms energy: -64.547339
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -6.507
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: 5, replica: 7
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -179.708476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.708476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.708476 (E_RNA)
where:
Base-Base interactions energy: -117.870
where: short stacking energy: -50.688
Base-Backbone interact. energy: -0.018
local terms energy: -61.819821
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -11.949
flat angles P-C4'-P energy: -3.190
tors. eta vs tors. theta energy: -12.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -182.385210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.385210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.385210 (E_RNA)
where:
Base-Base interactions energy: -118.666
where: short stacking energy: -61.285
Base-Backbone interact. energy: -0.054
local terms energy: -63.664462
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -7.365
tors. eta vs tors. theta energy: -14.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -92.741916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.741916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.741916 (E_RNA)
where:
Base-Base interactions energy: -40.042
where: short stacking energy: -28.430
Base-Backbone interact. energy: -0.375
local terms energy: -52.325002
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -7.318
tors. eta vs tors. theta energy: -2.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -128.274018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.274018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.274018 (E_RNA)
where:
Base-Base interactions energy: -69.544
where: short stacking energy: -28.290
Base-Backbone interact. energy: -0.280
local terms energy: -58.449581
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -11.498
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -4.375
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: 6
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -80.631949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.631949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.631949 (E_RNA)
where:
Base-Base interactions energy: -35.277
where: short stacking energy: -35.277
Base-Backbone interact. energy: -0.189
local terms energy: -45.166211
where:
bonds (distance) C4'-P energy: -10.415
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -10.089
flat angles P-C4'-P energy: -5.604
tors. eta vs tors. theta energy: -5.610
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: 10, replica: 10
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -72.137643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.137643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.137643 (E_RNA)
where:
Base-Base interactions energy: -26.753
where: short stacking energy: -25.387
Base-Backbone interact. energy: -0.374
local terms energy: -45.010881
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -2.979
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: 1, replica: 4
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -226.707063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.707063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.707063 (E_RNA)
where:
Base-Base interactions energy: -145.349
where: short stacking energy: -65.482
Base-Backbone interact. energy: -0.016
local terms energy: -81.341233
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -17.712
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -22.539
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: 1
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -226.148602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.148602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.148602 (E_RNA)
where:
Base-Base interactions energy: -145.237
where: short stacking energy: -67.032
Base-Backbone interact. energy: -0.009
local terms energy: -80.902899
where:
bonds (distance) C4'-P energy: -15.451
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -11.932
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: 3, replica: 2
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -205.175573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.175573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.175573 (E_RNA)
where:
Base-Base interactions energy: -138.523
where: short stacking energy: -60.837
Base-Backbone interact. energy: -0.400
local terms energy: -66.252896
where:
bonds (distance) C4'-P energy: -10.869
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -4.040
tors. eta vs tors. theta energy: -19.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -216.758526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.758526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.758526 (E_RNA)
where:
Base-Base interactions energy: -139.002
where: short stacking energy: -69.207
Base-Backbone interact. energy: -0.003
local terms energy: -77.753359
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -15.418
flat angles P-C4'-P energy: -10.143
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: 5, replica: 8
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -183.302287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.302287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.302287 (E_RNA)
where:
Base-Base interactions energy: -119.598
where: short stacking energy: -57.703
Base-Backbone interact. energy: -0.097
local terms energy: -63.606974
where:
bonds (distance) C4'-P energy: -13.053
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -8.885
tors. eta vs tors. theta energy: -12.701
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: 7
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -174.108886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.108886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.108886 (E_RNA)
where:
Base-Base interactions energy: -116.538
where: short stacking energy: -55.410
Base-Backbone interact. energy: -0.028
local terms energy: -57.542964
where:
bonds (distance) C4'-P energy: -9.758
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -4.200
tors. eta vs tors. theta energy: -12.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -105.770969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.770969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.770969 (E_RNA)
where:
Base-Base interactions energy: -45.727
where: short stacking energy: -25.980
Base-Backbone interact. energy: -0.206
local terms energy: -59.838808
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -7.760
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: 8, replica: 3
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -79.766472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.766472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.766472 (E_RNA)
where:
Base-Base interactions energy: -17.737
where: short stacking energy: -17.205
Base-Backbone interact. energy: -0.013
local terms energy: -62.016406
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -10.875
flat angles P-C4'-P energy: -13.674
tors. eta vs tors. theta energy: -8.063
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: 10
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -80.452531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.452531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.452531 (E_RNA)
where:
Base-Base interactions energy: -36.614
where: short stacking energy: -30.974
Base-Backbone interact. energy: -0.453
local terms energy: -43.385482
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -12.024
flat angles C4'-P-C4' energy: -8.407
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: 0.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -73.173367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.173367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.173367 (E_RNA)
where:
Base-Base interactions energy: -28.659
where: short stacking energy: -20.917
Base-Backbone interact. energy: 0.496
local terms energy: -45.010733
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -11.030
flat angles P-C4'-P energy: -7.792
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: 4
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -222.602829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.602829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.602829 (E_RNA)
where:
Base-Base interactions energy: -138.175
where: short stacking energy: -67.063
Base-Backbone interact. energy: -0.098
local terms energy: -84.329853
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -18.974
flat angles P-C4'-P energy: -12.782
tors. eta vs tors. theta energy: -23.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -217.892209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.892209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.892209 (E_RNA)
where:
Base-Base interactions energy: -148.166
where: short stacking energy: -57.673
Base-Backbone interact. energy: -0.011
local terms energy: -69.715305
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: -14.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -225.330477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.330477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.330477 (E_RNA)
where:
Base-Base interactions energy: -150.347
where: short stacking energy: -73.272
Base-Backbone interact. energy: -0.001
local terms energy: -74.982415
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -11.778
tors. eta vs tors. theta energy: -21.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -220.969406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.969406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.969406 (E_RNA)
where:
Base-Base interactions energy: -148.496
where: short stacking energy: -72.328
Base-Backbone interact. energy: -0.023
local terms energy: -72.450895
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -17.618
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -17.132
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: 5, replica: 8
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -180.912621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.912621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.912621 (E_RNA)
where:
Base-Base interactions energy: -113.629
where: short stacking energy: -58.062
Base-Backbone interact. energy: -0.084
local terms energy: -67.198977
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -10.509
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: 6, replica: 7
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -185.597743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.597743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.597743 (E_RNA)
where:
Base-Base interactions energy: -116.980
where: short stacking energy: -51.046
Base-Backbone interact. energy: -0.468
local terms energy: -68.150444
where:
bonds (distance) C4'-P energy: -10.216
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -16.803
flat angles P-C4'-P energy: -11.256
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: 7, replica: 9
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -91.136842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.136842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.136842 (E_RNA)
where:
Base-Base interactions energy: -41.461
where: short stacking energy: -23.837
Base-Backbone interact. energy: -0.140
local terms energy: -49.535885
where:
bonds (distance) C4'-P energy: -11.425
bonds (distance) P-C4' energy: -16.943
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -3.078
tors. eta vs tors. theta energy: -3.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -89.340020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.340020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.340020 (E_RNA)
where:
Base-Base interactions energy: -29.803
where: short stacking energy: -27.065
Base-Backbone interact. energy: -0.776
local terms energy: -58.760343
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -13.130
flat angles P-C4'-P energy: -8.560
tors. eta vs tors. theta energy: -8.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -75.958809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.958809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.958809 (E_RNA)
where:
Base-Base interactions energy: -36.106
where: short stacking energy: -34.904
Base-Backbone interact. energy: -0.139
local terms energy: -39.714477
where:
bonds (distance) C4'-P energy: -9.246
bonds (distance) P-C4' energy: -8.020
flat angles C4'-P-C4' energy: -14.279
flat angles P-C4'-P energy: -6.645
tors. eta vs tors. theta energy: -1.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -75.576160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.576160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.576160 (E_RNA)
where:
Base-Base interactions energy: -24.687
where: short stacking energy: -24.687
Base-Backbone interact. energy: -0.308
local terms energy: -50.581148
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -17.856
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -3.240
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: 400
Temperature: 0.900000
Total energy: -222.325957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.325957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.325957 (E_RNA)
where:
Base-Base interactions energy: -151.627
where: short stacking energy: -61.481
Base-Backbone interact. energy: -0.104
local terms energy: -70.594720
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -8.557
tors. eta vs tors. theta energy: -14.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -224.796990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.796990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.796990 (E_RNA)
where:
Base-Base interactions energy: -148.812
where: short stacking energy: -72.156
Base-Backbone interact. energy: -0.026
local terms energy: -75.958182
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -10.893
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: 5
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -217.796750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.796750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.796750 (E_RNA)
where:
Base-Base interactions energy: -145.252
where: short stacking energy: -67.815
Base-Backbone interact. energy: -0.239
local terms energy: -72.305347
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -16.629
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: 4, replica: 1
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -215.623326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.623326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.623326 (E_RNA)
where:
Base-Base interactions energy: -141.098
where: short stacking energy: -59.509
Base-Backbone interact. energy: -0.092
local terms energy: -74.433593
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -17.592
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -19.290
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: 7
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -190.580545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.580545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.580545 (E_RNA)
where:
Base-Base interactions energy: -119.555
where: short stacking energy: -55.175
Base-Backbone interact. energy: 1.009
local terms energy: -72.034728
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -17.056
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -6.723
tors. eta vs tors. theta energy: -16.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -183.638218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.638218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.638218 (E_RNA)
where:
Base-Base interactions energy: -113.711
where: short stacking energy: -55.784
Base-Backbone interact. energy: -0.053
local terms energy: -69.874173
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -8.970
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: 3
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -90.381630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.381630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.381630 (E_RNA)
where:
Base-Base interactions energy: -35.693
where: short stacking energy: -35.693
Base-Backbone interact. energy: 0.934
local terms energy: -55.622727
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -18.100
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: 0.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -106.067269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.067269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.067269 (E_RNA)
where:
Base-Base interactions energy: -46.722
where: short stacking energy: -35.381
Base-Backbone interact. energy: -0.023
local terms energy: -59.322037
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -12.115
flat angles P-C4'-P energy: -8.238
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: 9, replica: 6
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -95.056372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.056372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.056372 (E_RNA)
where:
Base-Base interactions energy: -43.563
where: short stacking energy: -20.593
Base-Backbone interact. energy: -0.268
local terms energy: -51.224875
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -9.282
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: 0.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -87.413352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.413352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.413352 (E_RNA)
where:
Base-Base interactions energy: -43.857
where: short stacking energy: -23.757
Base-Backbone interact. energy: 2.129
local terms energy: -45.685054
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -10.636
flat angles C4'-P-C4' energy: -11.094
flat angles P-C4'-P energy: -6.200
tors. eta vs tors. theta energy: -2.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -223.363565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.363565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.363565 (E_RNA)
where:
Base-Base interactions energy: -153.730
where: short stacking energy: -62.621
Base-Backbone interact. energy: -0.333
local terms energy: -69.299742
where:
bonds (distance) C4'-P energy: -12.688
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -13.159
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: -16.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -229.464350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.464350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.464350 (E_RNA)
where:
Base-Base interactions energy: -156.229
where: short stacking energy: -70.648
Base-Backbone interact. energy: -0.021
local terms energy: -73.213802
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -11.903
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -22.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -215.435521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.435521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.435521 (E_RNA)
where:
Base-Base interactions energy: -138.144
where: short stacking energy: -75.752
Base-Backbone interact. energy: -0.050
local terms energy: -77.241167
where:
bonds (distance) C4'-P energy: -14.076
bonds (distance) P-C4' energy: -12.178
flat angles C4'-P-C4' energy: -18.115
flat angles P-C4'-P energy: -11.194
tors. eta vs tors. theta energy: -21.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -216.758849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.758849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.758849 (E_RNA)
where:
Base-Base interactions energy: -140.254
where: short stacking energy: -65.277
Base-Backbone interact. energy: -0.015
local terms energy: -76.489951
where:
bonds (distance) C4'-P energy: -16.466
bonds (distance) P-C4' energy: -13.833
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -8.757
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: 5, replica: 7
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -187.158018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.158018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.158018 (E_RNA)
where:
Base-Base interactions energy: -118.794
where: short stacking energy: -58.656
Base-Backbone interact. energy: -0.010
local terms energy: -68.354254
where:
bonds (distance) C4'-P energy: -17.766
bonds (distance) P-C4' energy: -12.394
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -7.108
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: 6, replica: 8
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -186.252997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.252997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.252997 (E_RNA)
where:
Base-Base interactions energy: -123.523
where: short stacking energy: -60.166
Base-Backbone interact. energy: -0.240
local terms energy: -62.489360
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -16.939
flat angles P-C4'-P energy: -2.308
tors. eta vs tors. theta energy: -19.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -114.411647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.411647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.411647 (E_RNA)
where:
Base-Base interactions energy: -68.374
where: short stacking energy: -36.202
Base-Backbone interact. energy: -0.120
local terms energy: -45.917805
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -10.367
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -3.472
tors. eta vs tors. theta energy: -7.601
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: 401
Temperature: 1.250000
Total energy: -87.967930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.967930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.967930 (E_RNA)
where:
Base-Base interactions energy: -36.276
where: short stacking energy: -28.977
Base-Backbone interact. energy: 0.040
local terms energy: -51.732637
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -12.406
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: -3.375
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: 6
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -101.740384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.740384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.740384 (E_RNA)
where:
Base-Base interactions energy: -49.697
where: short stacking energy: -31.841
Base-Backbone interact. energy: -0.264
local terms energy: -51.779554
where:
bonds (distance) C4'-P energy: -10.605
bonds (distance) P-C4' energy: -11.940
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -6.949
tors. eta vs tors. theta energy: -6.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -69.513591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.513591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.513591 (E_RNA)
where:
Base-Base interactions energy: -21.554
where: short stacking energy: -20.187
Base-Backbone interact. energy: -0.304
local terms energy: -47.656363
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -13.156
flat angles P-C4'-P energy: -7.236
tors. eta vs tors. theta energy: 2.368
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: 5
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -230.338039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.338039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.338039 (E_RNA)
where:
Base-Base interactions energy: -155.178
where: short stacking energy: -75.209
Base-Backbone interact. energy: -0.741
local terms energy: -74.418752
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -13.830
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -10.677
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: 2, replica: 2
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -227.980115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.980115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.980115 (E_RNA)
where:
Base-Base interactions energy: -157.840
where: short stacking energy: -62.164
Base-Backbone interact. energy: -0.522
local terms energy: -69.617984
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -18.088
flat angles C4'-P-C4' energy: -14.060
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -16.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -228.287523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.287523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.287523 (E_RNA)
where:
Base-Base interactions energy: -149.337
where: short stacking energy: -72.358
Base-Backbone interact. energy: -0.514
local terms energy: -78.436186
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -22.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -223.762346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.762346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.762346 (E_RNA)
where:
Base-Base interactions energy: -141.435
where: short stacking energy: -64.691
Base-Backbone interact. energy: -0.478
local terms energy: -81.849728
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -16.984
flat angles P-C4'-P energy: -12.938
tors. eta vs tors. theta energy: -22.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -189.904616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.904616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.904616 (E_RNA)
where:
Base-Base interactions energy: -118.571
where: short stacking energy: -62.662
Base-Backbone interact. energy: -0.007
local terms energy: -71.326700
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -7.115
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: 6, replica: 8
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -178.641765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.641765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.641765 (E_RNA)
where:
Base-Base interactions energy: -110.099
where: short stacking energy: -52.052
Base-Backbone interact. energy: -0.025
local terms energy: -68.517094
where:
bonds (distance) C4'-P energy: -9.342
bonds (distance) P-C4' energy: -17.883
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -15.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -85.056545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.056545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.056545 (E_RNA)
where:
Base-Base interactions energy: -34.080
where: short stacking energy: -34.080
Base-Backbone interact. energy: -0.168
local terms energy: -50.809386
where:
bonds (distance) C4'-P energy: -10.148
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -18.265
flat angles P-C4'-P energy: -1.079
tors. eta vs tors. theta energy: -6.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -101.985102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.985102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.985102 (E_RNA)
where:
Base-Base interactions energy: -46.093
where: short stacking energy: -36.948
Base-Backbone interact. energy: -0.010
local terms energy: -55.882344
where:
bonds (distance) C4'-P energy: -17.978
bonds (distance) P-C4' energy: -10.540
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: -6.475
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: 10
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -81.573698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.573698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.573698 (E_RNA)
where:
Base-Base interactions energy: -34.916
where: short stacking energy: -34.916
Base-Backbone interact. energy: -0.402
local terms energy: -46.255994
where:
bonds (distance) C4'-P energy: -10.480
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -2.910
tors. eta vs tors. theta energy: -7.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -76.852992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.852992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.852992 (E_RNA)
where:
Base-Base interactions energy: -31.222
where: short stacking energy: -28.644
Base-Backbone interact. energy: -0.067
local terms energy: -45.564087
where:
bonds (distance) C4'-P energy: -7.793
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -11.474
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: -3.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -219.744855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.744855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.744855 (E_RNA)
where:
Base-Base interactions energy: -149.669
where: short stacking energy: -71.107
Base-Backbone interact. energy: -0.046
local terms energy: -70.029178
where:
bonds (distance) C4'-P energy: -13.074
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -13.894
flat angles P-C4'-P energy: -12.539
tors. eta vs tors. theta energy: -17.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -211.559301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.559301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.559301 (E_RNA)
where:
Base-Base interactions energy: -147.294
where: short stacking energy: -62.176
Base-Backbone interact. energy: -0.718
local terms energy: -63.547797
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -16.409
flat angles C4'-P-C4' energy: -8.721
flat angles P-C4'-P energy: -10.737
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: 3, replica: 1
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -221.738406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.738406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.738406 (E_RNA)
where:
Base-Base interactions energy: -144.863
where: short stacking energy: -70.690
Base-Backbone interact. energy: -0.413
local terms energy: -76.462033
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -17.486
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -21.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -196.188285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.188285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.188285 (E_RNA)
where:
Base-Base interactions energy: -129.714
where: short stacking energy: -51.605
Base-Backbone interact. energy: -0.091
local terms energy: -66.382316
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: -14.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -215.573170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.573170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.573170 (E_RNA)
where:
Base-Base interactions energy: -139.926
where: short stacking energy: -68.143
Base-Backbone interact. energy: -1.083
local terms energy: -74.564301
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -16.937
flat angles P-C4'-P energy: -6.884
tors. eta vs tors. theta energy: -21.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -179.822936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.822936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.822936 (E_RNA)
where:
Base-Base interactions energy: -107.518
where: short stacking energy: -52.680
Base-Backbone interact. energy: 1.561
local terms energy: -73.866196
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -18.183
flat angles C4'-P-C4' energy: -14.557
flat angles P-C4'-P energy: -9.715
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: 7, replica: 9
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -96.165904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.165904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.165904 (E_RNA)
where:
Base-Base interactions energy: -38.988
where: short stacking energy: -34.558
Base-Backbone interact. energy: 0.330
local terms energy: -57.507928
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -13.012
flat angles C4'-P-C4' energy: -10.736
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -10.756
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: 10
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -81.743500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.743500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.743500 (E_RNA)
where:
Base-Base interactions energy: -24.313
where: short stacking energy: -24.313
Base-Backbone interact. energy: -0.063
local terms energy: -57.367803
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -2.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -96.938792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.938792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.938792 (E_RNA)
where:
Base-Base interactions energy: -50.366
where: short stacking energy: -30.370
Base-Backbone interact. energy: -0.072
local terms energy: -46.500430
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -6.494
flat angles P-C4'-P energy: -4.638
tors. eta vs tors. theta energy: -6.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -77.776634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.776634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.776634 (E_RNA)
where:
Base-Base interactions energy: -43.940
where: short stacking energy: -13.279
Base-Backbone interact. energy: -0.254
local terms energy: -33.582556
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -7.087
flat angles C4'-P-C4' energy: -6.897
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: 4.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -218.952290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.952290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.952290 (E_RNA)
where:
Base-Base interactions energy: -145.161
where: short stacking energy: -62.292
Base-Backbone interact. energy: -0.485
local terms energy: -73.306298
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -13.391
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -13.535
tors. eta vs tors. theta energy: -17.838
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: 404
Temperature: 0.950000
Total energy: -219.140781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.140781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.140781 (E_RNA)
where:
Base-Base interactions energy: -147.988
where: short stacking energy: -60.794
Base-Backbone interact. energy: -0.003
local terms energy: -71.149634
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -8.757
tors. eta vs tors. theta energy: -16.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -194.497382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.497382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.497382 (E_RNA)
where:
Base-Base interactions energy: -125.546
where: short stacking energy: -53.276
Base-Backbone interact. energy: -0.005
local terms energy: -68.946517
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -14.845
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -11.750
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: 4, replica: 1
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -220.268533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.268533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.268533 (E_RNA)
where:
Base-Base interactions energy: -143.119
where: short stacking energy: -61.502
Base-Backbone interact. energy: 0.605
local terms energy: -77.755039
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -13.134
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -10.738
tors. eta vs tors. theta energy: -21.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -187.977926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.977926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.977926 (E_RNA)
where:
Base-Base interactions energy: -122.619
where: short stacking energy: -58.648
Base-Backbone interact. energy: -0.005
local terms energy: -65.353858
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -12.713
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -13.057
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: 4
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -193.782807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.782807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.782807 (E_RNA)
where:
Base-Base interactions energy: -125.093
where: short stacking energy: -52.114
Base-Backbone interact. energy: -0.383
local terms energy: -68.306926
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -16.359
flat angles C4'-P-C4' energy: -12.012
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -14.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -89.273183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.273183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.273183 (E_RNA)
where:
Base-Base interactions energy: -29.510
where: short stacking energy: -29.099
Base-Backbone interact. energy: -0.137
local terms energy: -59.625606
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -10.238
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: 8, replica: 9
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -100.692468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.692468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.692468 (E_RNA)
where:
Base-Base interactions energy: -51.906
where: short stacking energy: -27.035
Base-Backbone interact. energy: -0.163
local terms energy: -48.622739
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -4.545
tors. eta vs tors. theta energy: 1.357
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: 6
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -94.886398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.886398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.886398 (E_RNA)
where:
Base-Base interactions energy: -32.892
where: short stacking energy: -22.652
Base-Backbone interact. energy: -0.568
local terms energy: -61.425922
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -12.454
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -6.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -75.972924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.972924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.972924 (E_RNA)
where:
Base-Base interactions energy: -24.919
where: short stacking energy: -24.919
Base-Backbone interact. energy: -0.010
local terms energy: -51.043896
where:
bonds (distance) C4'-P energy: -14.245
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -10.837
flat angles P-C4'-P energy: -11.067
tors. eta vs tors. theta energy: -2.481
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: 5
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -232.346334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.346334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.346334 (E_RNA)
where:
Base-Base interactions energy: -152.785
where: short stacking energy: -75.276
Base-Backbone interact. energy: -0.457
local terms energy: -79.104638
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -23.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -210.887271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.887271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.887271 (E_RNA)
where:
Base-Base interactions energy: -148.983
where: short stacking energy: -66.865
Base-Backbone interact. energy: -0.009
local terms energy: -61.895162
where:
bonds (distance) C4'-P energy: -10.707
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -12.760
flat angles P-C4'-P energy: -4.028
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: 3, replica: 7
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -192.088050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.088050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.088050 (E_RNA)
where:
Base-Base interactions energy: -127.367
where: short stacking energy: -66.921
Base-Backbone interact. energy: -0.060
local terms energy: -64.660998
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -4.517
tors. eta vs tors. theta energy: -17.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -200.102500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.102500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.102500 (E_RNA)
where:
Base-Base interactions energy: -128.566
where: short stacking energy: -70.939
Base-Backbone interact. energy: -0.001
local terms energy: -71.535654
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -10.567
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: 8
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -190.043460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.043460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.043460 (E_RNA)
where:
Base-Base interactions energy: -127.223
where: short stacking energy: -58.026
Base-Backbone interact. energy: -0.074
local terms energy: -62.746728
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -11.337
flat angles C4'-P-C4' energy: -17.185
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -12.401
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: 4
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -200.268491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.268491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.268491 (E_RNA)
where:
Base-Base interactions energy: -128.912
where: short stacking energy: -54.619
Base-Backbone interact. energy: -1.066
local terms energy: -70.290526
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -7.985
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: 7, replica: 10
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -87.236178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.236178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.236178 (E_RNA)
where:
Base-Base interactions energy: -33.093
where: short stacking energy: -28.769
Base-Backbone interact. energy: 0.159
local terms energy: -54.302347
where:
bonds (distance) C4'-P energy: -16.524
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -10.999
flat angles P-C4'-P energy: -9.002
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: 8, replica: 6
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -94.956192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.956192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.956192 (E_RNA)
where:
Base-Base interactions energy: -39.963
where: short stacking energy: -24.158
Base-Backbone interact. energy: -0.057
local terms energy: -54.936409
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -14.577
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -10.490
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: 9, replica: 9
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -79.265282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.265282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.265282 (E_RNA)
where:
Base-Base interactions energy: -30.119
where: short stacking energy: -25.173
Base-Backbone interact. energy: -0.177
local terms energy: -48.969512
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -8.835
flat angles P-C4'-P energy: -9.616
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: 10, replica: 3
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -91.972202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.972202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.972202 (E_RNA)
where:
Base-Base interactions energy: -35.823
where: short stacking energy: -35.125
Base-Backbone interact. energy: -0.978
local terms energy: -55.170794
where:
bonds (distance) C4'-P energy: -10.185
bonds (distance) P-C4' energy: -14.055
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: -5.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -230.064621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.064621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.064621 (E_RNA)
where:
Base-Base interactions energy: -148.608
where: short stacking energy: -78.216
Base-Backbone interact. energy: -0.188
local terms energy: -81.268762
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -17.293
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -21.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -210.855786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.855786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.855786 (E_RNA)
where:
Base-Base interactions energy: -136.937
where: short stacking energy: -67.382
Base-Backbone interact. energy: -0.144
local terms energy: -73.774818
where:
bonds (distance) C4'-P energy: -11.926
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -14.112
flat angles P-C4'-P energy: -12.086
tors. eta vs tors. theta energy: -18.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -198.333268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.333268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.333268 (E_RNA)
where:
Base-Base interactions energy: -126.350
where: short stacking energy: -69.009
Base-Backbone interact. energy: -0.035
local terms energy: -71.948105
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -9.613
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: 4, replica: 7
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -180.534920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.534920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.534920 (E_RNA)
where:
Base-Base interactions energy: -116.371
where: short stacking energy: -56.159
Base-Backbone interact. energy: 0.121
local terms energy: -64.285113
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -10.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -210.600499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.600499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.600499 (E_RNA)
where:
Base-Base interactions energy: -133.876
where: short stacking energy: -56.375
Base-Backbone interact. energy: -0.189
local terms energy: -76.535925
where:
bonds (distance) C4'-P energy: -12.727
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -15.923
flat angles P-C4'-P energy: -11.092
tors. eta vs tors. theta energy: -19.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -178.982733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.982733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.982733 (E_RNA)
where:
Base-Base interactions energy: -114.462
where: short stacking energy: -48.445
Base-Backbone interact. energy: -0.073
local terms energy: -64.447772
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -4.982
tors. eta vs tors. theta energy: -15.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -115.497124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.497124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.497124 (E_RNA)
where:
Base-Base interactions energy: -66.664
where: short stacking energy: -25.153
Base-Backbone interact. energy: 1.819
local terms energy: -50.652423
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -11.826
flat angles P-C4'-P energy: -9.567
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: 8, replica: 10
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -104.767867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.767867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.767867 (E_RNA)
where:
Base-Base interactions energy: -62.256
where: short stacking energy: -30.776
Base-Backbone interact. energy: -0.341
local terms energy: -42.171269
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -10.218
flat angles C4'-P-C4' energy: -9.087
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: 2.740
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: 3
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -93.424684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.424684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.424684 (E_RNA)
where:
Base-Base interactions energy: -34.620
where: short stacking energy: -34.032
Base-Backbone interact. energy: -0.159
local terms energy: -58.646306
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -6.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -71.228073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.228073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.228073 (E_RNA)
where:
Base-Base interactions energy: -27.555
where: short stacking energy: -23.872
Base-Backbone interact. energy: -0.040
local terms energy: -43.633249
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -12.501
flat angles C4'-P-C4' energy: -12.448
flat angles P-C4'-P energy: -6.857
tors. eta vs tors. theta energy: 1.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -229.656529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.656529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.656529 (E_RNA)
where:
Base-Base interactions energy: -154.450
where: short stacking energy: -73.707
Base-Backbone interact. energy: -0.010
local terms energy: -75.197194
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -11.032
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -20.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -209.716432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.716432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.716432 (E_RNA)
where:
Base-Base interactions energy: -135.252
where: short stacking energy: -71.635
Base-Backbone interact. energy: -0.069
local terms energy: -74.394892
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -17.373
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: 2
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -199.090750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.090750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.090750 (E_RNA)
where:
Base-Base interactions energy: -135.774
where: short stacking energy: -55.625
Base-Backbone interact. energy: -0.592
local terms energy: -62.725305
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -9.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -205.987732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.987732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.987732 (E_RNA)
where:
Base-Base interactions energy: -132.181
where: short stacking energy: -64.362
Base-Backbone interact. energy: -0.069
local terms energy: -73.738304
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -12.237
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: 7
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -179.590711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.590711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.590711 (E_RNA)
where:
Base-Base interactions energy: -113.466
where: short stacking energy: -58.006
Base-Backbone interact. energy: -0.036
local terms energy: -66.088278
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -15.704
flat angles C4'-P-C4' energy: -12.697
flat angles P-C4'-P energy: -9.474
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: 6, replica: 8
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -181.149411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.149411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.149411 (E_RNA)
where:
Base-Base interactions energy: -115.375
where: short stacking energy: -58.206
Base-Backbone interact. energy: -0.049
local terms energy: -65.725038
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -11.277
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -12.008
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: 6
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -82.973092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.973092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.973092 (E_RNA)
where:
Base-Base interactions energy: -34.206
where: short stacking energy: -24.744
Base-Backbone interact. energy: -0.163
local terms energy: -48.603998
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -11.943
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: 2.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -125.019731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.019731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.019731 (E_RNA)
where:
Base-Base interactions energy: -65.644
where: short stacking energy: -31.892
Base-Backbone interact. energy: -0.155
local terms energy: -59.220403
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -14.217
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -13.488
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: 9, replica: 3
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -97.271502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.271502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.271502 (E_RNA)
where:
Base-Base interactions energy: -36.603
where: short stacking energy: -28.286
Base-Backbone interact. energy: -0.158
local terms energy: -60.510327
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -15.529
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -8.281
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: 10, replica: 9
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -70.989499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.989499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.989499 (E_RNA)
where:
Base-Base interactions energy: -25.381
where: short stacking energy: -25.381
Base-Backbone interact. energy: -0.039
local terms energy: -45.569986
where:
bonds (distance) C4'-P energy: -9.210
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -12.479
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: -3.289
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: 1, replica: 1
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -212.311790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.311790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.311790 (E_RNA)
where:
Base-Base interactions energy: -139.550
where: short stacking energy: -67.456
Base-Backbone interact. energy: -0.389
local terms energy: -72.373201
where:
bonds (distance) C4'-P energy: -10.587
bonds (distance) P-C4' energy: -18.458
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -11.040
tors. eta vs tors. theta energy: -17.784
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: 5
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -230.833707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.833707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.833707 (E_RNA)
where:
Base-Base interactions energy: -148.269
where: short stacking energy: -67.613
Base-Backbone interact. energy: 0.389
local terms energy: -82.953978
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -17.225
flat angles P-C4'-P energy: -14.728
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: 4
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -206.643503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.643503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.643503 (E_RNA)
where:
Base-Base interactions energy: -136.716
where: short stacking energy: -57.861
Base-Backbone interact. energy: -0.024
local terms energy: -69.903636
where:
bonds (distance) C4'-P energy: -17.782
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -9.032
flat angles P-C4'-P energy: -8.810
tors. eta vs tors. theta energy: -17.204
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: 2
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -194.698748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.698748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.698748 (E_RNA)
where:
Base-Base interactions energy: -127.186
where: short stacking energy: -47.823
Base-Backbone interact. energy: -0.170
local terms energy: -67.342909
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -13.417
flat angles P-C4'-P energy: -8.096
tors. eta vs tors. theta energy: -14.710
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: 8
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -182.314995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.314995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.314995 (E_RNA)
where:
Base-Base interactions energy: -121.570
where: short stacking energy: -59.661
Base-Backbone interact. energy: 0.325
local terms energy: -61.070365
where:
bonds (distance) C4'-P energy: -6.905
bonds (distance) P-C4' energy: -13.066
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -10.229
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: 6, replica: 7
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -177.092585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.092585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.092585 (E_RNA)
where:
Base-Base interactions energy: -112.694
where: short stacking energy: -58.057
Base-Backbone interact. energy: -0.185
local terms energy: -64.213382
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -11.845
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -13.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -123.502145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.502145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.502145 (E_RNA)
where:
Base-Base interactions energy: -65.085
where: short stacking energy: -34.038
Base-Backbone interact. energy: 0.541
local terms energy: -58.957469
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -16.466
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -6.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -78.109554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.109554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.109554 (E_RNA)
where:
Base-Base interactions energy: -30.375
where: short stacking energy: -29.287
Base-Backbone interact. energy: -0.040
local terms energy: -47.693967
where:
bonds (distance) C4'-P energy: -12.367
bonds (distance) P-C4' energy: -10.110
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -7.528
tors. eta vs tors. theta energy: -3.747
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: 9
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -75.133649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.133649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.133649 (E_RNA)
where:
Base-Base interactions energy: -24.884
where: short stacking energy: -23.679
Base-Backbone interact. energy: -0.205
local terms energy: -50.044624
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -10.858
flat angles P-C4'-P energy: -10.488
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: 3
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -74.182916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.182916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.182916 (E_RNA)
where:
Base-Base interactions energy: -28.840
where: short stacking energy: -13.516
Base-Backbone interact. energy: -0.013
local terms energy: -45.330116
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -9.439
flat angles P-C4'-P energy: -10.862
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: 1, replica: 1
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -214.931919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.931919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.931919 (E_RNA)
where:
Base-Base interactions energy: -140.228
where: short stacking energy: -64.285
Base-Backbone interact. energy: -0.268
local terms energy: -74.436262
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -18.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -233.477806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.477806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.477806 (E_RNA)
where:
Base-Base interactions energy: -153.759
where: short stacking energy: -80.542
Base-Backbone interact. energy: -0.024
local terms energy: -79.694883
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -13.341
tors. eta vs tors. theta energy: -21.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -202.180047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.180047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.180047 (E_RNA)
where:
Base-Base interactions energy: -126.919
where: short stacking energy: -63.542
Base-Backbone interact. energy: -0.039
local terms energy: -75.222477
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -7.574
tors. eta vs tors. theta energy: -18.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -192.391668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.391668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.391668 (E_RNA)
where:
Base-Base interactions energy: -125.271
where: short stacking energy: -60.997
Base-Backbone interact. energy: -0.032
local terms energy: -67.087828
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -10.796
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: -14.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -189.539403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.539403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.539403 (E_RNA)
where:
Base-Base interactions energy: -121.989
where: short stacking energy: -58.064
Base-Backbone interact. energy: -0.028
local terms energy: -67.522603
where:
bonds (distance) C4'-P energy: -11.738
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -7.845
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: 6, replica: 7
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -188.212459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.212459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.212459 (E_RNA)
where:
Base-Base interactions energy: -128.480
where: short stacking energy: -57.781
Base-Backbone interact. energy: -0.002
local terms energy: -59.730868
where:
bonds (distance) C4'-P energy: -12.601
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -12.066
flat angles P-C4'-P energy: -5.906
tors. eta vs tors. theta energy: -13.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -123.169441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.169441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.169441 (E_RNA)
where:
Base-Base interactions energy: -69.506
where: short stacking energy: -37.868
Base-Backbone interact. energy: -0.379
local terms energy: -53.284585
where:
bonds (distance) C4'-P energy: -12.616
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -5.871
tors. eta vs tors. theta energy: -4.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -83.421572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.421572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.421572 (E_RNA)
where:
Base-Base interactions energy: -35.079
where: short stacking energy: -14.983
Base-Backbone interact. energy: -0.849
local terms energy: -47.493961
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -12.942
flat angles C4'-P-C4' energy: -11.012
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: -0.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -78.799583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.799583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.799583 (E_RNA)
where:
Base-Base interactions energy: -28.067
where: short stacking energy: -16.391
Base-Backbone interact. energy: 1.329
local terms energy: -52.061280
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -12.215
flat angles P-C4'-P energy: -3.135
tors. eta vs tors. theta energy: -6.047
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: 3
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -102.707947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.707947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.707947 (E_RNA)
where:
Base-Base interactions energy: -50.066
where: short stacking energy: -33.009
Base-Backbone interact. energy: 0.364
local terms energy: -53.006180
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -12.088
flat angles C4'-P-C4' energy: -8.421
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -7.986
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: 5
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -232.020547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.020547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.020547 (E_RNA)
where:
Base-Base interactions energy: -150.141
where: short stacking energy: -69.168
Base-Backbone interact. energy: -0.010
local terms energy: -81.869147
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -23.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -203.514249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.514249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.514249 (E_RNA)
where:
Base-Base interactions energy: -135.496
where: short stacking energy: -68.006
Base-Backbone interact. energy: -0.761
local terms energy: -67.256411
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -13.307
tors. eta vs tors. theta energy: -14.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -211.878971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.878971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.878971 (E_RNA)
where:
Base-Base interactions energy: -139.683
where: short stacking energy: -73.632
Base-Backbone interact. energy: -0.001
local terms energy: -72.195627
where:
bonds (distance) C4'-P energy: -7.798
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -13.690
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: 4, replica: 8
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -184.375276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.375276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.375276 (E_RNA)
where:
Base-Base interactions energy: -114.443
where: short stacking energy: -57.201
Base-Backbone interact. energy: 0.047
local terms energy: -69.979525
where:
bonds (distance) C4'-P energy: -17.704
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -12.834
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: 7
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -176.442976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.442976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.442976 (E_RNA)
where:
Base-Base interactions energy: -106.067
where: short stacking energy: -48.089
Base-Backbone interact. energy: -0.839
local terms energy: -69.536976
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -13.277
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -13.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -173.866064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.866064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.866064 (E_RNA)
where:
Base-Base interactions energy: -114.708
where: short stacking energy: -46.961
Base-Backbone interact. energy: -0.617
local terms energy: -58.541550
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -12.749
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -8.436
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: 7, replica: 9
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -82.097735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.097735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.097735 (E_RNA)
where:
Base-Base interactions energy: -29.097
where: short stacking energy: -29.047
Base-Backbone interact. energy: 0.331
local terms energy: -53.331319
where:
bonds (distance) C4'-P energy: -5.543
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -12.982
tors. eta vs tors. theta energy: -3.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -95.044696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.044696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.044696 (E_RNA)
where:
Base-Base interactions energy: -51.357
where: short stacking energy: -23.787
Base-Backbone interact. energy: -0.622
local terms energy: -43.065379
where:
bonds (distance) C4'-P energy: -10.811
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -13.370
flat angles P-C4'-P energy: -5.941
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: 9, replica: 3
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -85.698293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.698293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.698293 (E_RNA)
where:
Base-Base interactions energy: -30.822
where: short stacking energy: -31.288
Base-Backbone interact. energy: -0.131
local terms energy: -54.745878
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -12.565
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -2.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -76.050100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.050100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.050100 (E_RNA)
where:
Base-Base interactions energy: -26.916
where: short stacking energy: -23.810
Base-Backbone interact. energy: -0.147
local terms energy: -48.987715
where:
bonds (distance) C4'-P energy: -11.050
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -12.224
flat angles P-C4'-P energy: -5.065
tors. eta vs tors. theta energy: -6.817
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: 5
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -230.690733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.690733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.690733 (E_RNA)
where:
Base-Base interactions energy: -154.633
where: short stacking energy: -73.461
Base-Backbone interact. energy: -0.004
local terms energy: -76.053307
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -11.755
flat angles P-C4'-P energy: -10.305
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: 4
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -221.766734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.766734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.766734 (E_RNA)
where:
Base-Base interactions energy: -141.800
where: short stacking energy: -72.296
Base-Backbone interact. energy: -0.028
local terms energy: -79.938123
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -17.516
flat angles P-C4'-P energy: -9.437
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: 3, replica: 1
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -205.894921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.894921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.894921 (E_RNA)
where:
Base-Base interactions energy: -139.538
where: short stacking energy: -62.906
Base-Backbone interact. energy: -0.981
local terms energy: -65.375620
where:
bonds (distance) C4'-P energy: -11.051
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -7.622
tors. eta vs tors. theta energy: -18.403
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: 4, replica: 7
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -175.444099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.444099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.444099 (E_RNA)
where:
Base-Base interactions energy: -112.263
where: short stacking energy: -51.182
Base-Backbone interact. energy: -0.050
local terms energy: -63.130238
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -12.739
flat angles P-C4'-P energy: -5.484
tors. eta vs tors. theta energy: -14.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -186.571749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.571749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.571749 (E_RNA)
where:
Base-Base interactions energy: -122.630
where: short stacking energy: -58.094
Base-Backbone interact. energy: -0.053
local terms energy: -63.889112
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -11.088
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -14.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -175.579355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.579355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.579355 (E_RNA)
where:
Base-Base interactions energy: -114.141
where: short stacking energy: -54.436
Base-Backbone interact. energy: -0.154
local terms energy: -61.285208
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -11.243
flat angles P-C4'-P energy: -12.174
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: 9
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -85.001292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.001292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.001292 (E_RNA)
where:
Base-Base interactions energy: -45.878
where: short stacking energy: -29.977
Base-Backbone interact. energy: -0.059
local terms energy: -39.063773
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -6.829
flat angles P-C4'-P energy: -5.620
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: 8, replica: 10
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -134.082264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.082264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.082264 (E_RNA)
where:
Base-Base interactions energy: -78.895
where: short stacking energy: -42.410
Base-Backbone interact. energy: -0.177
local terms energy: -55.010763
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -10.973
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: -4.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -78.549430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.549430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.549430 (E_RNA)
where:
Base-Base interactions energy: -34.238
where: short stacking energy: -32.853
Base-Backbone interact. energy: 0.089
local terms energy: -44.400822
where:
bonds (distance) C4'-P energy: -11.228
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -3.227
tors. eta vs tors. theta energy: -0.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -66.725531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.725531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.725531 (E_RNA)
where:
Base-Base interactions energy: -26.985
where: short stacking energy: -27.485
Base-Backbone interact. energy: -0.313
local terms energy: -39.427041
where:
bonds (distance) C4'-P energy: -7.321
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -11.826
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: 1.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -226.935534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.935534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.935534 (E_RNA)
where:
Base-Base interactions energy: -148.758
where: short stacking energy: -68.626
Base-Backbone interact. energy: -0.598
local terms energy: -77.579952
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -11.293
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: 4
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -223.736043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.736043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.736043 (E_RNA)
where:
Base-Base interactions energy: -148.156
where: short stacking energy: -71.219
Base-Backbone interact. energy: -0.005
local terms energy: -75.574599
where:
bonds (distance) C4'-P energy: -7.790
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -17.905
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -20.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -188.478454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.478454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.478454 (E_RNA)
where:
Base-Base interactions energy: -127.167
where: short stacking energy: -53.663
Base-Backbone interact. energy: -0.253
local terms energy: -61.057647
where:
bonds (distance) C4'-P energy: -9.653
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -8.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -225.910321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.910321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.910321 (E_RNA)
where:
Base-Base interactions energy: -148.761
where: short stacking energy: -70.640
Base-Backbone interact. energy: -0.006
local terms energy: -77.143248
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -17.823
flat angles P-C4'-P energy: -8.644
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: 5, replica: 2
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -190.542466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.542466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.542466 (E_RNA)
where:
Base-Base interactions energy: -114.651
where: short stacking energy: -56.206
Base-Backbone interact. energy: -0.089
local terms energy: -75.802539
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -12.446
tors. eta vs tors. theta energy: -18.815
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: 8
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -176.313155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.313155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.313155 (E_RNA)
where:
Base-Base interactions energy: -112.886
where: short stacking energy: -49.313
Base-Backbone interact. energy: -0.030
local terms energy: -63.396978
where:
bonds (distance) C4'-P energy: -11.110
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -8.801
tors. eta vs tors. theta energy: -13.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -108.574735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.574735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.574735 (E_RNA)
where:
Base-Base interactions energy: -44.784
where: short stacking energy: -36.108
Base-Backbone interact. energy: -0.038
local terms energy: -63.752867
where:
bonds (distance) C4'-P energy: -13.011
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -13.568
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -10.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -122.930242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.930242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.930242 (E_RNA)
where:
Base-Base interactions energy: -77.090
where: short stacking energy: -42.952
Base-Backbone interact. energy: -0.236
local terms energy: -45.603900
where:
bonds (distance) C4'-P energy: -11.284
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -8.775
flat angles P-C4'-P energy: -3.618
tors. eta vs tors. theta energy: -7.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -89.139479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.139479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.139479 (E_RNA)
where:
Base-Base interactions energy: -38.267
where: short stacking energy: -33.347
Base-Backbone interact. energy: -0.099
local terms energy: -50.772970
where:
bonds (distance) C4'-P energy: -9.748
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -14.780
flat angles P-C4'-P energy: -5.830
tors. eta vs tors. theta energy: -3.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -82.255444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.255444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.255444 (E_RNA)
where:
Base-Base interactions energy: -35.405
where: short stacking energy: -34.335
Base-Backbone interact. energy: 0.213
local terms energy: -47.063877
where:
bonds (distance) C4'-P energy: -10.826
bonds (distance) P-C4' energy: -10.948
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -8.389
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: 1, replica: 5
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -218.322276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.322276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.322276 (E_RNA)
where:
Base-Base interactions energy: -144.890
where: short stacking energy: -72.042
Base-Backbone interact. energy: -0.185
local terms energy: -73.247809
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -14.128
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -18.468
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: 2, replica: 4
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -225.576633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.576633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.576633 (E_RNA)
where:
Base-Base interactions energy: -145.221
where: short stacking energy: -72.662
Base-Backbone interact. energy: -0.008
local terms energy: -80.347818
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -12.541
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: 3, replica: 7
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -197.078741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.078741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.078741 (E_RNA)
where:
Base-Base interactions energy: -134.351
where: short stacking energy: -55.556
Base-Backbone interact. energy: 1.108
local terms energy: -63.835161
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -10.027
tors. eta vs tors. theta energy: -10.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -219.931209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.931209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.931209 (E_RNA)
where:
Base-Base interactions energy: -141.667
where: short stacking energy: -71.379
Base-Backbone interact. energy: -0.002
local terms energy: -78.262298
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -11.960
flat angles P-C4'-P energy: -11.086
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: 5, replica: 2
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -184.703483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.703483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.703483 (E_RNA)
where:
Base-Base interactions energy: -114.004
where: short stacking energy: -57.841
Base-Backbone interact. energy: -0.006
local terms energy: -70.693393
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -7.070
tors. eta vs tors. theta energy: -18.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -171.108024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.108024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.108024 (E_RNA)
where:
Base-Base interactions energy: -101.605
where: short stacking energy: -59.394
Base-Backbone interact. energy: -0.020
local terms energy: -69.482770
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -13.814
flat angles C4'-P-C4' energy: -16.016
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -14.432
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: 9
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -111.972350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.972350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.972350 (E_RNA)
where:
Base-Base interactions energy: -58.086
where: short stacking energy: -46.191
Base-Backbone interact. energy: -0.059
local terms energy: -53.826843
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -5.215
flat angles P-C4'-P energy: -12.311
tors. eta vs tors. theta energy: -7.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -144.230577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.230577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.230577 (E_RNA)
where:
Base-Base interactions energy: -89.534
where: short stacking energy: -25.957
Base-Backbone interact. energy: -0.910
local terms energy: -53.786867
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -3.342
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: 6
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -118.428571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.428571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.428571 (E_RNA)
where:
Base-Base interactions energy: -58.217
where: short stacking energy: -26.750
Base-Backbone interact. energy: -0.283
local terms energy: -59.928552
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -4.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -81.990493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.990493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.990493 (E_RNA)
where:
Base-Base interactions energy: -40.764
where: short stacking energy: -18.992
Base-Backbone interact. energy: 3.646
local terms energy: -44.873207
where:
bonds (distance) C4'-P energy: -14.027
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -4.182
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -3.396
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: 4
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -232.156151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.156151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.156151 (E_RNA)
where:
Base-Base interactions energy: -152.615
where: short stacking energy: -80.896
Base-Backbone interact. energy: -0.000
local terms energy: -79.540474
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -10.165
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: 2, replica: 5
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -225.793306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.793306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.793306 (E_RNA)
where:
Base-Base interactions energy: -148.890
where: short stacking energy: -74.531
Base-Backbone interact. energy: -0.026
local terms energy: -76.877013
where:
bonds (distance) C4'-P energy: -12.705
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -11.361
tors. eta vs tors. theta energy: -20.712
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: 1
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -208.877024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.877024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.877024 (E_RNA)
where:
Base-Base interactions energy: -133.139
where: short stacking energy: -52.648
Base-Backbone interact. energy: -0.063
local terms energy: -75.675168
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -17.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -182.179360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.179360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.179360 (E_RNA)
where:
Base-Base interactions energy: -121.263
where: short stacking energy: -60.497
Base-Backbone interact. energy: -0.083
local terms energy: -60.832770
where:
bonds (distance) C4'-P energy: -10.059
bonds (distance) P-C4' energy: -14.599
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -8.427
tors. eta vs tors. theta energy: -12.339
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: 5, replica: 8
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -182.630457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.630457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.630457 (E_RNA)
where:
Base-Base interactions energy: -118.477
where: short stacking energy: -50.117
Base-Backbone interact. energy: 0.025
local terms energy: -64.178188
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -6.793
tors. eta vs tors. theta energy: -13.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -186.138092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.138092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.138092 (E_RNA)
where:
Base-Base interactions energy: -117.059
where: short stacking energy: -50.815
Base-Backbone interact. energy: 0.168
local terms energy: -69.246585
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -12.363
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: -13.878
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: 10
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -139.934844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.934844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.934844 (E_RNA)
where:
Base-Base interactions energy: -81.580
where: short stacking energy: -36.357
Base-Backbone interact. energy: -0.092
local terms energy: -58.262703
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -12.415
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -9.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -91.948688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.948688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.948688 (E_RNA)
where:
Base-Base interactions energy: -33.959
where: short stacking energy: -31.680
Base-Backbone interact. energy: -1.080
local terms energy: -56.909884
where:
bonds (distance) C4'-P energy: -11.899
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -12.020
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -7.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -88.891163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.891163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.891163 (E_RNA)
where:
Base-Base interactions energy: -32.728
where: short stacking energy: -30.410
Base-Backbone interact. energy: -0.138
local terms energy: -56.025104
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -11.227
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -6.532
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: 6
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -109.126185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.126185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.126185 (E_RNA)
where:
Base-Base interactions energy: -55.234
where: short stacking energy: -26.513
Base-Backbone interact. energy: -0.011
local terms energy: -53.880978
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -14.632
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -6.688
tors. eta vs tors. theta energy: -4.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -232.272169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.272169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.272169 (E_RNA)
where:
Base-Base interactions energy: -152.308
where: short stacking energy: -76.411
Base-Backbone interact. energy: -0.039
local terms energy: -79.924940
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -17.416
flat angles P-C4'-P energy: -13.647
tors. eta vs tors. theta energy: -20.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -211.872029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.872029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.872029 (E_RNA)
where:
Base-Base interactions energy: -134.458
where: short stacking energy: -73.680
Base-Backbone interact. energy: -0.121
local terms energy: -77.292764
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -17.844
flat angles P-C4'-P energy: -11.624
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: 3, replica: 1
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -211.086203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.086203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.086203 (E_RNA)
where:
Base-Base interactions energy: -138.769
where: short stacking energy: -64.596
Base-Backbone interact. energy: -0.065
local terms energy: -72.252273
where:
bonds (distance) C4'-P energy: -12.354
bonds (distance) P-C4' energy: -13.813
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -10.374
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: 4, replica: 8
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -187.321054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.321054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.321054 (E_RNA)
where:
Base-Base interactions energy: -121.605
where: short stacking energy: -61.043
Base-Backbone interact. energy: -0.635
local terms energy: -65.081320
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -12.736
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -15.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -179.386383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.386383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.386383 (E_RNA)
where:
Base-Base interactions energy: -123.490
where: short stacking energy: -52.113
Base-Backbone interact. energy: -0.230
local terms energy: -55.666751
where:
bonds (distance) C4'-P energy: -11.213
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -11.000
flat angles P-C4'-P energy: -7.231
tors. eta vs tors. theta energy: -9.079
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: 2
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -177.093995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.093995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.093995 (E_RNA)
where:
Base-Base interactions energy: -119.705
where: short stacking energy: -51.633
Base-Backbone interact. energy: -0.032
local terms energy: -57.357382
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -7.773
tors. eta vs tors. theta energy: -9.048
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: 10
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -131.628427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.628427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.628427 (E_RNA)
where:
Base-Base interactions energy: -71.645
where: short stacking energy: -34.349
Base-Backbone interact. energy: 0.196
local terms energy: -60.179110
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -14.801
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -6.711
tors. eta vs tors. theta energy: -9.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -88.136682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.136682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.136682 (E_RNA)
where:
Base-Base interactions energy: -43.079
where: short stacking energy: -38.337
Base-Backbone interact. energy: -0.065
local terms energy: -44.992687
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -13.013
flat angles C4'-P-C4' energy: -9.966
flat angles P-C4'-P energy: -3.124
tors. eta vs tors. theta energy: -4.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -74.987549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.987549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.987549 (E_RNA)
where:
Base-Base interactions energy: -24.468
where: short stacking energy: -24.468
Base-Backbone interact. energy: 0.023
local terms energy: -50.542746
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -2.010
tors. eta vs tors. theta energy: -2.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -79.959055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.959055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.959055 (E_RNA)
where:
Base-Base interactions energy: -33.094
where: short stacking energy: -29.407
Base-Backbone interact. energy: -0.108
local terms energy: -46.757130
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -12.817
flat angles P-C4'-P energy: -2.646
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: 4
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -230.742807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.742807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.742807 (E_RNA)
where:
Base-Base interactions energy: -155.494
where: short stacking energy: -74.048
Base-Backbone interact. energy: -0.012
local terms energy: -75.237148
where:
bonds (distance) C4'-P energy: -10.388
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -17.561
flat angles P-C4'-P energy: -11.274
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: 2, replica: 5
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -217.804980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.804980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.804980 (E_RNA)
where:
Base-Base interactions energy: -137.614
where: short stacking energy: -66.944
Base-Backbone interact. energy: -0.001
local terms energy: -80.190261
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -12.043
tors. eta vs tors. theta energy: -20.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -218.569548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.569548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.569548 (E_RNA)
where:
Base-Base interactions energy: -148.574
where: short stacking energy: -69.722
Base-Backbone interact. energy: -0.135
local terms energy: -69.860663
where:
bonds (distance) C4'-P energy: -11.022
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: -21.149
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: 4, replica: 8
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -207.211041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.211041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.211041 (E_RNA)
where:
Base-Base interactions energy: -139.880
where: short stacking energy: -56.626
Base-Backbone interact. energy: 0.360
local terms energy: -67.691356
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -9.384
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -14.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -182.948909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.948909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.948909 (E_RNA)
where:
Base-Base interactions energy: -119.799
where: short stacking energy: -54.467
Base-Backbone interact. energy: 0.282
local terms energy: -63.432580
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -7.667
tors. eta vs tors. theta energy: -12.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -180.650773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.650773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.650773 (E_RNA)
where:
Base-Base interactions energy: -120.968
where: short stacking energy: -50.067
Base-Backbone interact. energy: -0.028
local terms energy: -59.654779
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -12.135
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: -10.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -143.121116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.121116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.121116 (E_RNA)
where:
Base-Base interactions energy: -87.377
where: short stacking energy: -40.904
Base-Backbone interact. energy: -0.234
local terms energy: -55.509339
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -10.542
flat angles P-C4'-P energy: -4.223
tors. eta vs tors. theta energy: -10.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -116.756761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.756761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.756761 (E_RNA)
where:
Base-Base interactions energy: -69.082
where: short stacking energy: -25.686
Base-Backbone interact. energy: -0.888
local terms energy: -46.786237
where:
bonds (distance) C4'-P energy: -13.744
bonds (distance) P-C4' energy: -11.319
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -5.380
tors. eta vs tors. theta energy: 0.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -86.363680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.363680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.363680 (E_RNA)
where:
Base-Base interactions energy: -32.708
where: short stacking energy: -32.708
Base-Backbone interact. energy: -0.095
local terms energy: -53.560735
where:
bonds (distance) C4'-P energy: -10.187
bonds (distance) P-C4' energy: -14.079
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -5.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -74.096275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.096275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.096275 (E_RNA)
where:
Base-Base interactions energy: -36.604
where: short stacking energy: -27.507
Base-Backbone interact. energy: -0.211
local terms energy: -37.281314
where:
bonds (distance) C4'-P energy: -10.051
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -8.874
flat angles P-C4'-P energy: -6.980
tors. eta vs tors. theta energy: 2.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -228.728286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.728286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.728286 (E_RNA)
where:
Base-Base interactions energy: -151.198
where: short stacking energy: -76.611
Base-Backbone interact. energy: -0.001
local terms energy: -77.529057
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -9.585
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: 2, replica: 1
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -225.706209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.706209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.706209 (E_RNA)
where:
Base-Base interactions energy: -147.011
where: short stacking energy: -65.431
Base-Backbone interact. energy: -0.001
local terms energy: -78.693692
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -17.250
flat angles P-C4'-P energy: -12.160
tors. eta vs tors. theta energy: -19.207
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: 5
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -216.486196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.486196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.486196 (E_RNA)
where:
Base-Base interactions energy: -141.823
where: short stacking energy: -70.217
Base-Backbone interact. energy: 0.883
local terms energy: -75.546555
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -12.499
tors. eta vs tors. theta energy: -19.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -189.935376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.935376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.935376 (E_RNA)
where:
Base-Base interactions energy: -127.916
where: short stacking energy: -44.183
Base-Backbone interact. energy: -0.448
local terms energy: -61.570992
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -9.522
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -8.313
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: 417
Temperature: 1.100000
Total energy: -205.261842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.261842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.261842 (E_RNA)
where:
Base-Base interactions energy: -141.942
where: short stacking energy: -64.000
Base-Backbone interact. energy: -0.002
local terms energy: -63.317892
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -12.600
flat angles C4'-P-C4' energy: -11.804
flat angles P-C4'-P energy: -9.328
tors. eta vs tors. theta energy: -14.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -165.365353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.365353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.365353 (E_RNA)
where:
Base-Base interactions energy: -105.365
where: short stacking energy: -45.669
Base-Backbone interact. energy: -0.474
local terms energy: -59.526539
where:
bonds (distance) C4'-P energy: -11.104
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -12.095
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: 7, replica: 2
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -189.947348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.947348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.947348 (E_RNA)
where:
Base-Base interactions energy: -125.194
where: short stacking energy: -70.909
Base-Backbone interact. energy: -0.002
local terms energy: -64.750984
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -9.383
flat angles P-C4'-P energy: -5.130
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: 8, replica: 10
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -128.168043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.168043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.168043 (E_RNA)
where:
Base-Base interactions energy: -70.396
where: short stacking energy: -30.678
Base-Backbone interact. energy: 0.309
local terms energy: -58.080216
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -12.613
flat angles P-C4'-P energy: -11.083
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: 9, replica: 6
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -94.497832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.497832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.497832 (E_RNA)
where:
Base-Base interactions energy: -44.038
where: short stacking energy: -26.129
Base-Backbone interact. energy: -0.580
local terms energy: -49.880029
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -13.969
flat angles P-C4'-P energy: -7.401
tors. eta vs tors. theta energy: 1.221
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: 9
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -74.013078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.013078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.013078 (E_RNA)
where:
Base-Base interactions energy: -34.017
where: short stacking energy: -19.392
Base-Backbone interact. energy: -0.355
local terms energy: -39.640906
where:
bonds (distance) C4'-P energy: -12.387
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -7.037
flat angles P-C4'-P energy: -11.590
tors. eta vs tors. theta energy: 6.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -226.908844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.908844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.908844 (E_RNA)
where:
Base-Base interactions energy: -148.460
where: short stacking energy: -67.940
Base-Backbone interact. energy: -0.001
local terms energy: -78.448623
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -15.471
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -20.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -229.735105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.735105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.735105 (E_RNA)
where:
Base-Base interactions energy: -153.915
where: short stacking energy: -73.249
Base-Backbone interact. energy: -0.630
local terms energy: -75.189419
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -23.046
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: 5
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -230.559637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.559637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.559637 (E_RNA)
where:
Base-Base interactions energy: -149.216
where: short stacking energy: -73.405
Base-Backbone interact. energy: -0.006
local terms energy: -81.337192
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -12.917
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: 4, replica: 7
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -184.344622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.344622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.344622 (E_RNA)
where:
Base-Base interactions energy: -120.104
where: short stacking energy: -57.351
Base-Backbone interact. energy: -0.274
local terms energy: -63.966703
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -7.438
tors. eta vs tors. theta energy: -13.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -190.341574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.341574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.341574 (E_RNA)
where:
Base-Base interactions energy: -124.327
where: short stacking energy: -58.734
Base-Backbone interact. energy: -0.003
local terms energy: -66.011554
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -11.108
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -10.530
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: 8
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -190.686149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.686149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.686149 (E_RNA)
where:
Base-Base interactions energy: -128.630
where: short stacking energy: -53.646
Base-Backbone interact. energy: 0.097
local terms energy: -62.152699
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -6.649
tors. eta vs tors. theta energy: -10.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -177.431981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.431981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.431981 (E_RNA)
where:
Base-Base interactions energy: -110.997
where: short stacking energy: -53.264
Base-Backbone interact. energy: -0.071
local terms energy: -66.363623
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -14.951
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -15.101
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: 8, replica: 10
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -126.368284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.368284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.368284 (E_RNA)
where:
Base-Base interactions energy: -72.598
where: short stacking energy: -33.705
Base-Backbone interact. energy: -0.173
local terms energy: -53.597005
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -11.019
flat angles P-C4'-P energy: -7.065
tors. eta vs tors. theta energy: -6.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -99.491355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.491355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.491355 (E_RNA)
where:
Base-Base interactions energy: -37.223
where: short stacking energy: -37.223
Base-Backbone interact. energy: 0.225
local terms energy: -62.493689
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -12.560
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: 10, replica: 6
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -79.401644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.401644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.401644 (E_RNA)
where:
Base-Base interactions energy: -30.951
where: short stacking energy: -12.951
Base-Backbone interact. energy: -0.562
local terms energy: -47.888954
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -8.515
tors. eta vs tors. theta energy: 2.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -227.442496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.442496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.442496 (E_RNA)
where:
Base-Base interactions energy: -154.440
where: short stacking energy: -72.813
Base-Backbone interact. energy: -0.615
local terms energy: -72.387405
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -21.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -219.913815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.913815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.913815 (E_RNA)
where:
Base-Base interactions energy: -148.972
where: short stacking energy: -70.088
Base-Backbone interact. energy: -0.449
local terms energy: -70.492732
where:
bonds (distance) C4'-P energy: -9.220
bonds (distance) P-C4' energy: -13.094
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -21.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -207.379629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.379629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.379629 (E_RNA)
where:
Base-Base interactions energy: -134.757
where: short stacking energy: -57.823
Base-Backbone interact. energy: 1.557
local terms energy: -74.179578
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -13.034
tors. eta vs tors. theta energy: -17.330
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: 419
Temperature: 1.050000
Total energy: -189.633076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.633076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.633076 (E_RNA)
where:
Base-Base interactions energy: -120.953
where: short stacking energy: -61.223
Base-Backbone interact. energy: -0.001
local terms energy: -68.679708
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -11.684
flat angles C4'-P-C4' energy: -15.978
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -15.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -174.454179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.454179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.454179 (E_RNA)
where:
Base-Base interactions energy: -117.835
where: short stacking energy: -48.548
Base-Backbone interact. energy: 1.297
local terms energy: -57.917129
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -11.805
flat angles C4'-P-C4' energy: -12.812
flat angles P-C4'-P energy: -8.847
tors. eta vs tors. theta energy: -10.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -176.664931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.664931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.664931 (E_RNA)
where:
Base-Base interactions energy: -112.987
where: short stacking energy: -47.006
Base-Backbone interact. energy: -0.001
local terms energy: -63.676776
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -7.983
tors. eta vs tors. theta energy: -14.530
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: 8
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -156.662961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.662961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.662961 (E_RNA)
where:
Base-Base interactions energy: -107.822
where: short stacking energy: -44.569
Base-Backbone interact. energy: -0.123
local terms energy: -48.717441
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -10.433
flat angles C4'-P-C4' energy: -6.970
flat angles P-C4'-P energy: -7.530
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: 9
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -80.769844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.769844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.769844 (E_RNA)
where:
Base-Base interactions energy: -31.990
where: short stacking energy: -23.159
Base-Backbone interact. energy: 0.400
local terms energy: -49.180325
where:
bonds (distance) C4'-P energy: -10.058
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: 0.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -119.556833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.556833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.556833 (E_RNA)
where:
Base-Base interactions energy: -60.277
where: short stacking energy: -29.798
Base-Backbone interact. energy: -0.678
local terms energy: -58.602166
where:
bonds (distance) C4'-P energy: -15.441
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -5.885
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: 10, replica: 6
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -68.588460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.588460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.588460 (E_RNA)
where:
Base-Base interactions energy: -23.570
where: short stacking energy: -21.056
Base-Backbone interact. energy: -0.049
local terms energy: -44.970205
where:
bonds (distance) C4'-P energy: -10.484
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -9.169
flat angles P-C4'-P energy: -6.551
tors. eta vs tors. theta energy: -5.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -235.745027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.745027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.745027 (E_RNA)
where:
Base-Base interactions energy: -160.977
where: short stacking energy: -72.589
Base-Backbone interact. energy: -0.662
local terms energy: -74.106133
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -16.695
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: 1
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -224.167086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.167086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.167086 (E_RNA)
where:
Base-Base interactions energy: -142.927
where: short stacking energy: -66.932
Base-Backbone interact. energy: -0.076
local terms energy: -81.164404
where:
bonds (distance) C4'-P energy: -14.961
bonds (distance) P-C4' energy: -15.887
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -22.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -199.750348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.750348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.750348 (E_RNA)
where:
Base-Base interactions energy: -136.681
where: short stacking energy: -57.304
Base-Backbone interact. energy: -0.185
local terms energy: -62.885174
where:
bonds (distance) C4'-P energy: -12.891
bonds (distance) P-C4' energy: -12.519
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -6.125
tors. eta vs tors. theta energy: -16.057
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: 4
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -201.384428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.384428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.384428 (E_RNA)
where:
Base-Base interactions energy: -136.177
where: short stacking energy: -64.385
Base-Backbone interact. energy: -0.036
local terms energy: -65.170707
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -15.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -197.235309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.235309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.235309 (E_RNA)
where:
Base-Base interactions energy: -132.979
where: short stacking energy: -60.875
Base-Backbone interact. energy: -0.013
local terms energy: -64.242843
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -13.567
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: 6, replica: 7
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -172.593329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.593329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.593329 (E_RNA)
where:
Base-Base interactions energy: -113.288
where: short stacking energy: -45.844
Base-Backbone interact. energy: 0.900
local terms energy: -60.205652
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -7.486
tors. eta vs tors. theta energy: -7.402
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: 9
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -91.758897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.758897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.758897 (E_RNA)
where:
Base-Base interactions energy: -47.707
where: short stacking energy: -32.707
Base-Backbone interact. energy: -0.351
local terms energy: -43.701510
where:
bonds (distance) C4'-P energy: -4.104
bonds (distance) P-C4' energy: -11.617
flat angles C4'-P-C4' energy: -17.974
flat angles P-C4'-P energy: -9.828
tors. eta vs tors. theta energy: -0.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -95.725428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.725428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.725428 (E_RNA)
where:
Base-Base interactions energy: -51.522
where: short stacking energy: -41.301
Base-Backbone interact. energy: -0.196
local terms energy: -44.007539
where:
bonds (distance) C4'-P energy: -12.212
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -0.043
tors. eta vs tors. theta energy: -6.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -72.794760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.794760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.794760 (E_RNA)
where:
Base-Base interactions energy: -25.062
where: short stacking energy: -20.189
Base-Backbone interact. energy: 0.472
local terms energy: -48.204198
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -11.868
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -1.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -71.883762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.883762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.883762 (E_RNA)
where:
Base-Base interactions energy: -25.646
where: short stacking energy: -23.806
Base-Backbone interact. energy: -0.323
local terms energy: -45.915261
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -3.798
tors. eta vs tors. theta energy: 0.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -231.168033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.168033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.168033 (E_RNA)
where:
Base-Base interactions energy: -147.568
where: short stacking energy: -71.839
Base-Backbone interact. energy: -0.001
local terms energy: -83.599566
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -17.409
flat angles C4'-P-C4' energy: -18.582
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -21.904
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: 2, replica: 1
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -222.488335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.488335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.488335 (E_RNA)
where:
Base-Base interactions energy: -143.859
where: short stacking energy: -73.252
Base-Backbone interact. energy: -0.828
local terms energy: -77.801585
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -20.425
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: 3
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -194.381581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.381581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.381581 (E_RNA)
where:
Base-Base interactions energy: -119.636
where: short stacking energy: -56.129
Base-Backbone interact. energy: 0.818
local terms energy: -75.563798
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -19.299
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: -12.742
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: 4
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -217.522978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.522978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.522978 (E_RNA)
where:
Base-Base interactions energy: -148.403
where: short stacking energy: -70.516
Base-Backbone interact. energy: -0.100
local terms energy: -69.019952
where:
bonds (distance) C4'-P energy: -6.456
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -18.627
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -18.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -199.753175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.753175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.753175 (E_RNA)
where:
Base-Base interactions energy: -129.550
where: short stacking energy: -59.530
Base-Backbone interact. energy: 1.335
local terms energy: -71.537940
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -14.931
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: 421
Temperature: 1.150000
Total energy: -187.871969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.871969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.871969 (E_RNA)
where:
Base-Base interactions energy: -124.992
where: short stacking energy: -53.127
Base-Backbone interact. energy: -0.260
local terms energy: -62.619339
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -5.777
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: 7, replica: 9
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -94.460771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.460771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.460771 (E_RNA)
where:
Base-Base interactions energy: -42.007
where: short stacking energy: -30.971
Base-Backbone interact. energy: -0.058
local terms energy: -52.395149
where:
bonds (distance) C4'-P energy: -9.925
bonds (distance) P-C4' energy: -13.649
flat angles C4'-P-C4' energy: -11.233
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -6.528
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: 10
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -82.263265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.263265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.263265 (E_RNA)
where:
Base-Base interactions energy: -28.853
where: short stacking energy: -28.226
Base-Backbone interact. energy: -0.140
local terms energy: -53.270591
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -11.639
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -8.666
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: 9, replica: 8
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -108.520183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.520183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.520183 (E_RNA)
where:
Base-Base interactions energy: -56.082
where: short stacking energy: -26.922
Base-Backbone interact. energy: -0.397
local terms energy: -52.040584
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -10.648
flat angles C4'-P-C4' energy: -15.988
flat angles P-C4'-P energy: -8.345
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: 10, replica: 6
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -65.241215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.241215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.241215 (E_RNA)
where:
Base-Base interactions energy: -17.006
where: short stacking energy: -15.215
Base-Backbone interact. energy: -0.072
local terms energy: -48.162916
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -11.522
flat angles P-C4'-P energy: -7.342
tors. eta vs tors. theta energy: 2.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -216.662763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.662763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.662763 (E_RNA)
where:
Base-Base interactions energy: -143.424
where: short stacking energy: -70.164
Base-Backbone interact. energy: -0.189
local terms energy: -73.049256
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -11.493
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -12.239
tors. eta vs tors. theta energy: -16.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -215.601376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.601376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.601376 (E_RNA)
where:
Base-Base interactions energy: -137.774
where: short stacking energy: -62.662
Base-Backbone interact. energy: -0.242
local terms energy: -77.585782
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -9.887
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: 4
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -219.876465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.876465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.876465 (E_RNA)
where:
Base-Base interactions energy: -142.492
where: short stacking energy: -67.148
Base-Backbone interact. energy: -0.027
local terms energy: -77.357890
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -12.369
flat angles C4'-P-C4' energy: -17.255
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -22.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -194.820982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.820982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.820982 (E_RNA)
where:
Base-Base interactions energy: -127.391
where: short stacking energy: -53.430
Base-Backbone interact. energy: -0.647
local terms energy: -66.782247
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -14.922
flat angles P-C4'-P energy: -7.307
tors. eta vs tors. theta energy: -13.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -178.906823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.906823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.906823 (E_RNA)
where:
Base-Base interactions energy: -124.030
where: short stacking energy: -51.677
Base-Backbone interact. energy: 0.032
local terms energy: -54.908688
where:
bonds (distance) C4'-P energy: -4.473
bonds (distance) P-C4' energy: -13.285
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -12.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -194.666815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.666815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.666815 (E_RNA)
where:
Base-Base interactions energy: -119.105
where: short stacking energy: -72.057
Base-Backbone interact. energy: -0.082
local terms energy: -75.479643
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -17.087
flat angles P-C4'-P energy: -6.972
tors. eta vs tors. theta energy: -18.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -83.325291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.325291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.325291 (E_RNA)
where:
Base-Base interactions energy: -29.662
where: short stacking energy: -29.662
Base-Backbone interact. energy: -0.139
local terms energy: -53.524985
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -13.407
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: -3.017
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: 422
Temperature: 1.250000
Total energy: -89.076628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.076628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.076628 (E_RNA)
where:
Base-Base interactions energy: -35.486
where: short stacking energy: -35.486
Base-Backbone interact. energy: -0.192
local terms energy: -53.398206
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -13.628
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -7.462
tors. eta vs tors. theta energy: -5.333
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: 8
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -103.433003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.433003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.433003 (E_RNA)
where:
Base-Base interactions energy: -59.188
where: short stacking energy: -35.160
Base-Backbone interact. energy: -0.232
local terms energy: -44.013247
where:
bonds (distance) C4'-P energy: -10.297
bonds (distance) P-C4' energy: -11.161
flat angles C4'-P-C4' energy: -13.317
flat angles P-C4'-P energy: -5.444
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: 6
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -70.449519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.449519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.449519 (E_RNA)
where:
Base-Base interactions energy: -26.650
where: short stacking energy: -24.064
Base-Backbone interact. energy: 0.237
local terms energy: -44.036715
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -8.654
flat angles C4'-P-C4' energy: -12.794
flat angles P-C4'-P energy: -7.950
tors. eta vs tors. theta energy: 0.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -231.604833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.604833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.604833 (E_RNA)
where:
Base-Base interactions energy: -153.317
where: short stacking energy: -76.129
Base-Backbone interact. energy: -0.003
local terms energy: -78.285046
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -16.212
flat angles C4'-P-C4' energy: -17.366
flat angles P-C4'-P energy: -10.817
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: 4
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -223.025791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.025791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.025791 (E_RNA)
where:
Base-Base interactions energy: -149.047
where: short stacking energy: -71.898
Base-Backbone interact. energy: -0.003
local terms energy: -73.976398
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -16.273
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -6.804
tors. eta vs tors. theta energy: -21.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -219.979638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.979638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.979638 (E_RNA)
where:
Base-Base interactions energy: -144.904
where: short stacking energy: -72.332
Base-Backbone interact. energy: -0.599
local terms energy: -74.476107
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -12.836
flat angles C4'-P-C4' energy: -18.006
flat angles P-C4'-P energy: -6.072
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: 4, replica: 7
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -188.330842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.330842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.330842 (E_RNA)
where:
Base-Base interactions energy: -114.291
where: short stacking energy: -58.413
Base-Backbone interact. energy: -0.039
local terms energy: -74.000397
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -15.618
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -18.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -192.583634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.583634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.583634 (E_RNA)
where:
Base-Base interactions energy: -125.227
where: short stacking energy: -67.849
Base-Backbone interact. energy: -0.002
local terms energy: -67.354801
where:
bonds (distance) C4'-P energy: -9.822
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -8.870
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: 6, replica: 2
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -182.919973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.919973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.919973 (E_RNA)
where:
Base-Base interactions energy: -119.899
where: short stacking energy: -55.412
Base-Backbone interact. energy: -0.105
local terms energy: -62.915889
where:
bonds (distance) C4'-P energy: -8.241
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -14.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -91.537415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.537415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.537415 (E_RNA)
where:
Base-Base interactions energy: -29.800
where: short stacking energy: -27.020
Base-Backbone interact. energy: -0.218
local terms energy: -61.519146
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -13.977
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -13.259
tors. eta vs tors. theta energy: -6.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -87.116932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.116932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.116932 (E_RNA)
where:
Base-Base interactions energy: -33.351
where: short stacking energy: -27.344
Base-Backbone interact. energy: -0.945
local terms energy: -52.821153
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -10.555
flat angles P-C4'-P energy: -7.034
tors. eta vs tors. theta energy: -5.974
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: 423
Temperature: 1.300000
Total energy: -77.314223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.314223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.314223 (E_RNA)
where:
Base-Base interactions energy: -25.042
where: short stacking energy: -16.488
Base-Backbone interact. energy: -0.272
local terms energy: -52.000333
where:
bonds (distance) C4'-P energy: -10.514
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -11.644
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: -0.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -82.030853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.030853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.030853 (E_RNA)
where:
Base-Base interactions energy: -34.967
where: short stacking energy: -20.269
Base-Backbone interact. energy: -0.158
local terms energy: -46.905996
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -13.495
flat angles C4'-P-C4' energy: -12.697
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: 2.360
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: 1
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -237.570976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.570976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.570976 (E_RNA)
where:
Base-Base interactions energy: -152.831
where: short stacking energy: -75.274
Base-Backbone interact. energy: -0.581
local terms energy: -84.158731
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -19.128
flat angles C4'-P-C4' energy: -18.128
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -21.925
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: 4
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -227.091500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.091500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.091500 (E_RNA)
where:
Base-Base interactions energy: -148.177
where: short stacking energy: -81.317
Base-Backbone interact. energy: -0.424
local terms energy: -78.490670
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -18.652
flat angles P-C4'-P energy: -11.233
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: 3, replica: 7
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -188.047885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.047885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.047885 (E_RNA)
where:
Base-Base interactions energy: -118.704
where: short stacking energy: -49.850
Base-Backbone interact. energy: -0.009
local terms energy: -69.334193
where:
bonds (distance) C4'-P energy: -16.756
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -15.003
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -14.395
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: 5
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -215.124496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.124496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.124496 (E_RNA)
where:
Base-Base interactions energy: -141.515
where: short stacking energy: -75.341
Base-Backbone interact. energy: -0.004
local terms energy: -73.606444
where:
bonds (distance) C4'-P energy: -9.709
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -12.237
tors. eta vs tors. theta energy: -19.884
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: 2
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -201.058533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.058533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.058533 (E_RNA)
where:
Base-Base interactions energy: -133.854
where: short stacking energy: -59.417
Base-Backbone interact. energy: -0.892
local terms energy: -66.313164
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -9.802
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -9.802
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: 6, replica: 3
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -188.263971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.263971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.263971 (E_RNA)
where:
Base-Base interactions energy: -114.579
where: short stacking energy: -57.123
Base-Backbone interact. energy: -0.103
local terms energy: -73.581885
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -8.803
tors. eta vs tors. theta energy: -21.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -90.676599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.676599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.676599 (E_RNA)
where:
Base-Base interactions energy: -37.105
where: short stacking energy: -37.105
Base-Backbone interact. energy: -0.066
local terms energy: -53.505885
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -12.032
flat angles P-C4'-P energy: -6.142
tors. eta vs tors. theta energy: -5.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -80.422137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.422137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.422137 (E_RNA)
where:
Base-Base interactions energy: -36.846
where: short stacking energy: -24.084
Base-Backbone interact. energy: 0.186
local terms energy: -43.762211
where:
bonds (distance) C4'-P energy: -10.037
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -13.988
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: 2.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -81.015831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.015831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.015831 (E_RNA)
where:
Base-Base interactions energy: -32.902
where: short stacking energy: -23.706
Base-Backbone interact. energy: 1.036
local terms energy: -49.149304
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -15.858
flat angles C4'-P-C4' energy: -8.493
flat angles P-C4'-P energy: -8.231
tors. eta vs tors. theta energy: -2.472
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: 424
Temperature: 1.350000
Total energy: -76.627224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.627224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.627224 (E_RNA)
where:
Base-Base interactions energy: -23.044
where: short stacking energy: -20.298
Base-Backbone interact. energy: 1.827
local terms energy: -55.409976
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -13.896
flat angles P-C4'-P energy: -7.864
tors. eta vs tors. theta energy: -3.349
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: 1
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -228.918441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.918441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.918441 (E_RNA)
where:
Base-Base interactions energy: -146.853
where: short stacking energy: -69.192
Base-Backbone interact. energy: -0.013
local terms energy: -82.052822
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -14.662
flat angles C4'-P-C4' energy: -17.256
flat angles P-C4'-P energy: -12.655
tors. eta vs tors. theta energy: -22.174
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: 4
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -219.422387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.422387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.422387 (E_RNA)
where:
Base-Base interactions energy: -141.385
where: short stacking energy: -65.945
Base-Backbone interact. energy: -0.620
local terms energy: -77.417128
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -18.559
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -21.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -197.267301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.267301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.267301 (E_RNA)
where:
Base-Base interactions energy: -123.662
where: short stacking energy: -62.839
Base-Backbone interact. energy: -0.008
local terms energy: -73.598031
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -19.138
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -10.877
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: 4, replica: 5
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -210.669755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.669755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.669755 (E_RNA)
where:
Base-Base interactions energy: -139.410
where: short stacking energy: -63.177
Base-Backbone interact. energy: -0.420
local terms energy: -70.840184
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -16.053
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -17.380
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: 2
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -199.554524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.554524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.554524 (E_RNA)
where:
Base-Base interactions energy: -126.734
where: short stacking energy: -63.585
Base-Backbone interact. energy: -0.006
local terms energy: -72.815306
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -16.205
flat angles P-C4'-P energy: -12.089
tors. eta vs tors. theta energy: -17.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -177.325699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.325699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.325699 (E_RNA)
where:
Base-Base interactions energy: -121.107
where: short stacking energy: -44.818
Base-Backbone interact. energy: -0.301
local terms energy: -55.917263
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -9.781
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: -5.227
tors. eta vs tors. theta energy: -13.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -85.067484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.067484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.067484 (E_RNA)
where:
Base-Base interactions energy: -32.127
where: short stacking energy: -31.040
Base-Backbone interact. energy: -0.240
local terms energy: -52.700564
where:
bonds (distance) C4'-P energy: -12.066
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -7.494
tors. eta vs tors. theta energy: -7.895
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: 6
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -85.962702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.962702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.962702 (E_RNA)
where:
Base-Base interactions energy: -37.221
where: short stacking energy: -26.333
Base-Backbone interact. energy: -0.044
local terms energy: -48.698007
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -13.764
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: 2.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -85.620067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.620067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.620067 (E_RNA)
where:
Base-Base interactions energy: -43.720
where: short stacking energy: -30.408
Base-Backbone interact. energy: 0.000
local terms energy: -41.899994
where:
bonds (distance) C4'-P energy: -13.396
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -7.625
flat angles P-C4'-P energy: -7.930
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: 10, replica: 9
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -91.200439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.200439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.200439 (E_RNA)
where:
Base-Base interactions energy: -34.203
where: short stacking energy: -31.833
Base-Backbone interact. energy: -0.267
local terms energy: -56.730177
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -9.466
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -5.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -229.915121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.915121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.915121 (E_RNA)
where:
Base-Base interactions energy: -156.092
where: short stacking energy: -69.764
Base-Backbone interact. energy: -0.280
local terms energy: -73.542417
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -7.619
flat angles C4'-P-C4' energy: -17.848
flat angles P-C4'-P energy: -12.142
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: 2, replica: 1
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -222.740912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.740912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.740912 (E_RNA)
where:
Base-Base interactions energy: -143.696
where: short stacking energy: -71.893
Base-Backbone interact. energy: -0.083
local terms energy: -78.961825
where:
bonds (distance) C4'-P energy: -15.367
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -13.409
flat angles P-C4'-P energy: -11.653
tors. eta vs tors. theta energy: -21.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -207.442158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.442158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.442158 (E_RNA)
where:
Base-Base interactions energy: -136.090
where: short stacking energy: -63.658
Base-Backbone interact. energy: -0.006
local terms energy: -71.346634
where:
bonds (distance) C4'-P energy: -9.420
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -12.692
tors. eta vs tors. theta energy: -18.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -196.625673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.625673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.625673 (E_RNA)
where:
Base-Base interactions energy: -132.532
where: short stacking energy: -56.370
Base-Backbone interact. energy: -0.207
local terms energy: -63.886537
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -15.932
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -6.730
tors. eta vs tors. theta energy: -12.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -202.029523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.029523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.029523 (E_RNA)
where:
Base-Base interactions energy: -132.118
where: short stacking energy: -57.759
Base-Backbone interact. energy: -0.025
local terms energy: -69.886903
where:
bonds (distance) C4'-P energy: -11.463
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -11.731
tors. eta vs tors. theta energy: -17.078
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: 3
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -192.002965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.002965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.002965 (E_RNA)
where:
Base-Base interactions energy: -119.914
where: short stacking energy: -48.977
Base-Backbone interact. energy: -0.114
local terms energy: -71.974876
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -14.693
flat angles C4'-P-C4' energy: -14.406
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -15.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -100.958044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.958044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.958044 (E_RNA)
where:
Base-Base interactions energy: -46.446
where: short stacking energy: -39.465
Base-Backbone interact. energy: -0.142
local terms energy: -54.369884
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -10.464
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: -5.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -90.948977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.948977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.948977 (E_RNA)
where:
Base-Base interactions energy: -28.318
where: short stacking energy: -29.354
Base-Backbone interact. energy: -0.186
local terms energy: -62.445186
where:
bonds (distance) C4'-P energy: -16.673
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -8.372
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: 9, replica: 9
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -76.844632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.844632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.844632 (E_RNA)
where:
Base-Base interactions energy: -33.149
where: short stacking energy: -23.567
Base-Backbone interact. energy: -0.032
local terms energy: -43.663126
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -11.019
flat angles C4'-P-C4' energy: -11.724
flat angles P-C4'-P energy: -0.828
tors. eta vs tors. theta energy: -4.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -75.309848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.309848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.309848 (E_RNA)
where:
Base-Base interactions energy: -25.523
where: short stacking energy: -23.263
Base-Backbone interact. energy: -0.015
local terms energy: -49.772332
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -11.874
flat angles P-C4'-P energy: -6.736
tors. eta vs tors. theta energy: -3.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -231.511422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.511422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.511422 (E_RNA)
where:
Base-Base interactions energy: -151.406
where: short stacking energy: -75.627
Base-Backbone interact. energy: -0.002
local terms energy: -80.103482
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -8.329
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: 1
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -224.460252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.460252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.460252 (E_RNA)
where:
Base-Base interactions energy: -155.105
where: short stacking energy: -76.410
Base-Backbone interact. energy: -0.003
local terms energy: -69.352050
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -11.594
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -22.669
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: 5
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -217.694662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.694662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.694662 (E_RNA)
where:
Base-Base interactions energy: -145.159
where: short stacking energy: -69.877
Base-Backbone interact. energy: -0.178
local terms energy: -72.357633
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -16.990
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -16.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -195.492745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.492745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.492745 (E_RNA)
where:
Base-Base interactions energy: -119.225
where: short stacking energy: -59.938
Base-Backbone interact. energy: -0.194
local terms energy: -76.073831
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -15.481
flat angles C4'-P-C4' energy: -17.983
flat angles P-C4'-P energy: -12.374
tors. eta vs tors. theta energy: -15.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -192.603458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.603458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.603458 (E_RNA)
where:
Base-Base interactions energy: -125.698
where: short stacking energy: -46.236
Base-Backbone interact. energy: -1.730
local terms energy: -65.175393
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -15.210
flat angles C4'-P-C4' energy: -12.212
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -14.912
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: 3
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -177.026366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.026366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.026366 (E_RNA)
where:
Base-Base interactions energy: -105.528
where: short stacking energy: -47.097
Base-Backbone interact. energy: -0.004
local terms energy: -71.493955
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -13.145
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -13.199
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: 6
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -91.505670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.505670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.505670 (E_RNA)
where:
Base-Base interactions energy: -41.310
where: short stacking energy: -34.756
Base-Backbone interact. energy: -0.130
local terms energy: -50.066019
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -11.867
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -5.531
tors. eta vs tors. theta energy: -3.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -90.102718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.102718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.102718 (E_RNA)
where:
Base-Base interactions energy: -38.889
where: short stacking energy: -28.619
Base-Backbone interact. energy: 0.852
local terms energy: -52.066454
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -12.536
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -2.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -75.956688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.956688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.956688 (E_RNA)
where:
Base-Base interactions energy: -29.069
where: short stacking energy: -23.609
Base-Backbone interact. energy: -0.139
local terms energy: -46.748717
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -11.064
flat angles P-C4'-P energy: -3.888
tors. eta vs tors. theta energy: -0.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -77.150145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.150145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.150145 (E_RNA)
where:
Base-Base interactions energy: -27.439
where: short stacking energy: -27.439
Base-Backbone interact. energy: 0.829
local terms energy: -50.540797
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -11.850
flat angles P-C4'-P energy: -6.499
tors. eta vs tors. theta energy: -2.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -232.002928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.002928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.002928 (E_RNA)
where:
Base-Base interactions energy: -154.303
where: short stacking energy: -78.301
Base-Backbone interact. energy: -0.320
local terms energy: -77.379997
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -13.784
flat angles C4'-P-C4' energy: -18.596
flat angles P-C4'-P energy: -9.066
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: 2, replica: 4
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -229.281071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.281071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.281071 (E_RNA)
where:
Base-Base interactions energy: -152.095
where: short stacking energy: -71.128
Base-Backbone interact. energy: -0.002
local terms energy: -77.183501
where:
bonds (distance) C4'-P energy: -12.251
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -17.897
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: -20.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -191.056606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.056606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.056606 (E_RNA)
where:
Base-Base interactions energy: -125.084
where: short stacking energy: -54.660
Base-Backbone interact. energy: -0.063
local terms energy: -65.909307
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -10.745
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -13.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -211.874078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.874078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.874078 (E_RNA)
where:
Base-Base interactions energy: -138.325
where: short stacking energy: -64.722
Base-Backbone interact. energy: -0.758
local terms energy: -72.791286
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -11.284
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -19.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -180.086861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.086861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.086861 (E_RNA)
where:
Base-Base interactions energy: -111.725
where: short stacking energy: -52.758
Base-Backbone interact. energy: -0.153
local terms energy: -68.209138
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -14.052
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -11.358
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: 6, replica: 7
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -196.494582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.494582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.494582 (E_RNA)
where:
Base-Base interactions energy: -130.008
where: short stacking energy: -55.462
Base-Backbone interact. energy: -0.148
local terms energy: -66.338887
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -15.845
flat angles P-C4'-P energy: -6.276
tors. eta vs tors. theta energy: -12.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -87.721358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.721358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.721358 (E_RNA)
where:
Base-Base interactions energy: -35.085
where: short stacking energy: -23.793
Base-Backbone interact. energy: -0.256
local terms energy: -52.379854
where:
bonds (distance) C4'-P energy: -10.750
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -11.874
flat angles P-C4'-P energy: -8.142
tors. eta vs tors. theta energy: -3.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -87.608677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.608677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.608677 (E_RNA)
where:
Base-Base interactions energy: -32.980
where: short stacking energy: -31.763
Base-Backbone interact. energy: 0.402
local terms energy: -55.030730
where:
bonds (distance) C4'-P energy: -9.112
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -5.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -82.541861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.541861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.541861 (E_RNA)
where:
Base-Base interactions energy: -36.871
where: short stacking energy: -25.485
Base-Backbone interact. energy: -0.029
local terms energy: -45.641721
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -12.593
flat angles P-C4'-P energy: -4.422
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: 10, replica: 8
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -80.064754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.064754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.064754 (E_RNA)
where:
Base-Base interactions energy: -28.913
where: short stacking energy: -27.121
Base-Backbone interact. energy: -0.093
local terms energy: -51.059612
where:
bonds (distance) C4'-P energy: -10.368
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -10.055
flat angles P-C4'-P energy: -7.579
tors. eta vs tors. theta energy: -7.312
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: 1, replica: 1
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -228.579111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.579111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.579111 (E_RNA)
where:
Base-Base interactions energy: -152.153
where: short stacking energy: -75.743
Base-Backbone interact. energy: -0.774
local terms energy: -75.652639
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -16.271
flat angles P-C4'-P energy: -8.016
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: 2, replica: 4
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -227.924917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.924917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.924917 (E_RNA)
where:
Base-Base interactions energy: -153.331
where: short stacking energy: -75.722
Base-Backbone interact. energy: -0.658
local terms energy: -73.936185
where:
bonds (distance) C4'-P energy: -12.138
bonds (distance) P-C4' energy: -13.584
flat angles C4'-P-C4' energy: -15.006
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -23.373
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: 2
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -200.220751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.220751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.220751 (E_RNA)
where:
Base-Base interactions energy: -125.681
where: short stacking energy: -66.854
Base-Backbone interact. energy: -0.117
local terms energy: -74.422972
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -16.732
flat angles P-C4'-P energy: -12.972
tors. eta vs tors. theta energy: -15.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -192.089832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.089832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.089832 (E_RNA)
where:
Base-Base interactions energy: -122.690
where: short stacking energy: -64.544
Base-Backbone interact. energy: -0.089
local terms energy: -69.310941
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -8.640
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: 5, replica: 5
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -218.364855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.364855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.364855 (E_RNA)
where:
Base-Base interactions energy: -140.250
where: short stacking energy: -63.462
Base-Backbone interact. energy: -0.034
local terms energy: -78.080675
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -16.807
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: -21.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -176.231694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.231694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.231694 (E_RNA)
where:
Base-Base interactions energy: -104.986
where: short stacking energy: -44.967
Base-Backbone interact. energy: -0.061
local terms energy: -71.185067
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -11.348
tors. eta vs tors. theta energy: -13.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -90.117366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.117366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.117366 (E_RNA)
where:
Base-Base interactions energy: -47.171
where: short stacking energy: -40.536
Base-Backbone interact. energy: 0.045
local terms energy: -42.991169
where:
bonds (distance) C4'-P energy: -7.077
bonds (distance) P-C4' energy: -11.181
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -0.261
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: 10
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -86.590704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.590704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.590704 (E_RNA)
where:
Base-Base interactions energy: -37.278
where: short stacking energy: -34.742
Base-Backbone interact. energy: -0.050
local terms energy: -49.263029
where:
bonds (distance) C4'-P energy: -13.094
bonds (distance) P-C4' energy: -16.223
flat angles C4'-P-C4' energy: -10.212
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: -2.108
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: 6
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -85.332012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.332012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.332012 (E_RNA)
where:
Base-Base interactions energy: -32.766
where: short stacking energy: -32.148
Base-Backbone interact. energy: -0.101
local terms energy: -52.464722
where:
bonds (distance) C4'-P energy: -14.656
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -10.109
flat angles P-C4'-P energy: -4.362
tors. eta vs tors. theta energy: -9.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -85.124845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.124845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.124845 (E_RNA)
where:
Base-Base interactions energy: -35.350
where: short stacking energy: -22.800
Base-Backbone interact. energy: -0.303
local terms energy: -49.472184
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -14.690
flat angles C4'-P-C4' energy: -11.561
flat angles P-C4'-P energy: -1.066
tors. eta vs tors. theta energy: -9.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -233.944880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.944880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.944880 (E_RNA)
where:
Base-Base interactions energy: -157.630
where: short stacking energy: -57.115
Base-Backbone interact. energy: -0.420
local terms energy: -75.894413
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -16.309
flat angles P-C4'-P energy: -6.863
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: 2, replica: 4
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -227.355085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.355085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.355085 (E_RNA)
where:
Base-Base interactions energy: -142.093
where: short stacking energy: -70.437
Base-Backbone interact. energy: -0.010
local terms energy: -85.251597
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -14.165
tors. eta vs tors. theta energy: -22.174
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: 2
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -195.068627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.068627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.068627 (E_RNA)
where:
Base-Base interactions energy: -132.216
where: short stacking energy: -57.694
Base-Backbone interact. energy: -0.017
local terms energy: -62.835838
where:
bonds (distance) C4'-P energy: -10.556
bonds (distance) P-C4' energy: -12.551
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -15.359
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: 430
Temperature: 1.050000
Total energy: -194.094653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.094653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.094653 (E_RNA)
where:
Base-Base interactions energy: -124.897
where: short stacking energy: -61.352
Base-Backbone interact. energy: -1.400
local terms energy: -67.797109
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -14.753
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -5.552
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: 5, replica: 5
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -210.035514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.035514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.035514 (E_RNA)
where:
Base-Base interactions energy: -139.433
where: short stacking energy: -65.774
Base-Backbone interact. energy: -0.006
local terms energy: -70.596779
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -9.580
flat angles P-C4'-P energy: -13.217
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: 6, replica: 7
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -186.246906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.246906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.246906 (E_RNA)
where:
Base-Base interactions energy: -124.835
where: short stacking energy: -51.181
Base-Backbone interact. energy: -0.173
local terms energy: -61.239404
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -4.064
tors. eta vs tors. theta energy: -12.200
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: 10
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -97.648018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.648018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.648018 (E_RNA)
where:
Base-Base interactions energy: -43.587
where: short stacking energy: -27.157
Base-Backbone interact. energy: -0.183
local terms energy: -53.877734
where:
bonds (distance) C4'-P energy: -11.076
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -13.064
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -3.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -91.149527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.149527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.149527 (E_RNA)
where:
Base-Base interactions energy: -39.117
where: short stacking energy: -24.479
Base-Backbone interact. energy: -0.091
local terms energy: -51.940927
where:
bonds (distance) C4'-P energy: -8.436
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -11.392
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -6.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -85.341499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.341499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.341499 (E_RNA)
where:
Base-Base interactions energy: -33.783
where: short stacking energy: -33.783
Base-Backbone interact. energy: -0.151
local terms energy: -51.407613
where:
bonds (distance) C4'-P energy: -10.713
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -3.272
tors. eta vs tors. theta energy: -8.146
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: 6
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -69.965901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.965901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.965901 (E_RNA)
where:
Base-Base interactions energy: -23.767
where: short stacking energy: -21.144
Base-Backbone interact. energy: -0.546
local terms energy: -45.652996
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -9.463
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: 0.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -232.405350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.405350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.405350 (E_RNA)
where:
Base-Base interactions energy: -149.240
where: short stacking energy: -71.859
Base-Backbone interact. energy: -0.593
local terms energy: -82.572722
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -17.755
flat angles P-C4'-P energy: -13.154
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: 2, replica: 4
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -227.579837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.579837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.579837 (E_RNA)
where:
Base-Base interactions energy: -150.383
where: short stacking energy: -71.736
Base-Backbone interact. energy: -0.070
local terms energy: -77.126996
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -12.451
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: 2
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -192.433870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.433870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.433870 (E_RNA)
where:
Base-Base interactions energy: -125.416
where: short stacking energy: -56.678
Base-Backbone interact. energy: 0.549
local terms energy: -67.566876
where:
bonds (distance) C4'-P energy: -14.664
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -13.653
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -12.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -216.487128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.487128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.487128 (E_RNA)
where:
Base-Base interactions energy: -144.729
where: short stacking energy: -70.905
Base-Backbone interact. energy: -0.005
local terms energy: -71.753190
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -11.927
flat angles C4'-P-C4' energy: -16.325
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -16.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -191.086329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.086329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.086329 (E_RNA)
where:
Base-Base interactions energy: -128.491
where: short stacking energy: -56.765
Base-Backbone interact. energy: -0.208
local terms energy: -62.386593
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -6.815
tors. eta vs tors. theta energy: -12.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -182.881850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.881850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.881850 (E_RNA)
where:
Base-Base interactions energy: -115.748
where: short stacking energy: -53.190
Base-Backbone interact. energy: -0.034
local terms energy: -67.099930
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -10.977
tors. eta vs tors. theta energy: -10.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -89.641099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.641099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.641099 (E_RNA)
where:
Base-Base interactions energy: -35.474
where: short stacking energy: -32.994
Base-Backbone interact. energy: -0.294
local terms energy: -53.873556
where:
bonds (distance) C4'-P energy: -10.596
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -3.558
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: 8
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -92.662898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.662898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.662898 (E_RNA)
where:
Base-Base interactions energy: -39.088
where: short stacking energy: -39.088
Base-Backbone interact. energy: -0.099
local terms energy: -53.476572
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -13.657
flat angles C4'-P-C4' energy: -9.279
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -8.857
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: 9
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -85.350624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.350624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.350624 (E_RNA)
where:
Base-Base interactions energy: -31.071
where: short stacking energy: -18.496
Base-Backbone interact. energy: -0.598
local terms energy: -53.681730
where:
bonds (distance) C4'-P energy: -9.152
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: 0.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -75.910023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.910023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.910023 (E_RNA)
where:
Base-Base interactions energy: -29.803
where: short stacking energy: -13.981
Base-Backbone interact. energy: -1.223
local terms energy: -44.884536
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -13.098
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -6.255
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: 1, replica: 4
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -225.812721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.812721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.812721 (E_RNA)
where:
Base-Base interactions energy: -148.636
where: short stacking energy: -72.017
Base-Backbone interact. energy: -0.001
local terms energy: -77.175367
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -21.982
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: 1
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -225.129892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.129892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.129892 (E_RNA)
where:
Base-Base interactions energy: -152.443
where: short stacking energy: -72.596
Base-Backbone interact. energy: 0.440
local terms energy: -73.126887
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -14.391
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -9.032
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: 3, replica: 5
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -214.451657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.451657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.451657 (E_RNA)
where:
Base-Base interactions energy: -137.467
where: short stacking energy: -71.834
Base-Backbone interact. energy: -0.648
local terms energy: -76.336333
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -17.005
flat angles P-C4'-P energy: -2.952
tors. eta vs tors. theta energy: -23.038
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: 2
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -187.818909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.818909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.818909 (E_RNA)
where:
Base-Base interactions energy: -123.441
where: short stacking energy: -51.397
Base-Backbone interact. energy: -0.100
local terms energy: -64.277731
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -4.025
tors. eta vs tors. theta energy: -14.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -184.151371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.151371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.151371 (E_RNA)
where:
Base-Base interactions energy: -121.072
where: short stacking energy: -54.489
Base-Backbone interact. energy: -0.102
local terms energy: -62.977297
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -10.593
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -12.947
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: 3
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -192.850458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.850458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.850458 (E_RNA)
where:
Base-Base interactions energy: -128.156
where: short stacking energy: -53.180
Base-Backbone interact. energy: 3.587
local terms energy: -68.281454
where:
bonds (distance) C4'-P energy: -16.207
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -10.999
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -15.702
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: 8
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -106.868849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.868849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.868849 (E_RNA)
where:
Base-Base interactions energy: -43.092
where: short stacking energy: -43.092
Base-Backbone interact. energy: -0.006
local terms energy: -63.771063
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -15.896
flat angles P-C4'-P energy: -11.001
tors. eta vs tors. theta energy: -8.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -89.227953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.227953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.227953 (E_RNA)
where:
Base-Base interactions energy: -33.102
where: short stacking energy: -33.102
Base-Backbone interact. energy: -0.125
local terms energy: -56.001090
where:
bonds (distance) C4'-P energy: -7.760
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -2.445
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: 6
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -78.661754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.661754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.661754 (E_RNA)
where:
Base-Base interactions energy: -30.241
where: short stacking energy: -26.510
Base-Backbone interact. energy: -0.287
local terms energy: -48.133909
where:
bonds (distance) C4'-P energy: -10.443
bonds (distance) P-C4' energy: -13.016
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -6.198
tors. eta vs tors. theta energy: -3.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -83.748772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.748772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.748772 (E_RNA)
where:
Base-Base interactions energy: -25.619
where: short stacking energy: -23.119
Base-Backbone interact. energy: -0.002
local terms energy: -58.127765
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -12.518
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -7.811
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: 1, replica: 4
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -229.974039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.974039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.974039 (E_RNA)
where:
Base-Base interactions energy: -156.055
where: short stacking energy: -70.590
Base-Backbone interact. energy: -0.002
local terms energy: -73.916584
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -9.540
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -9.882
tors. eta vs tors. theta energy: -22.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -225.814208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.814208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.814208 (E_RNA)
where:
Base-Base interactions energy: -143.196
where: short stacking energy: -72.695
Base-Backbone interact. energy: -0.014
local terms energy: -82.603858
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -17.036
flat angles P-C4'-P energy: -12.494
tors. eta vs tors. theta energy: -21.046
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: 1
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -211.984392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.984392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.984392 (E_RNA)
where:
Base-Base interactions energy: -136.463
where: short stacking energy: -64.829
Base-Backbone interact. energy: -0.082
local terms energy: -75.438904
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -9.573
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: 4, replica: 2
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -196.651106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.651106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.651106 (E_RNA)
where:
Base-Base interactions energy: -125.518
where: short stacking energy: -50.409
Base-Backbone interact. energy: -0.076
local terms energy: -71.057592
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -18.534
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -10.449
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: 7
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -191.066167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.066167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.066167 (E_RNA)
where:
Base-Base interactions energy: -118.095
where: short stacking energy: -51.604
Base-Backbone interact. energy: -0.184
local terms energy: -72.786886
where:
bonds (distance) C4'-P energy: -13.952
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -17.543
flat angles P-C4'-P energy: -13.416
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: 6, replica: 3
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -183.906383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.906383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.906383 (E_RNA)
where:
Base-Base interactions energy: -122.802
where: short stacking energy: -59.949
Base-Backbone interact. energy: 0.463
local terms energy: -61.567124
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -12.091
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -12.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -99.963972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.963972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.963972 (E_RNA)
where:
Base-Base interactions energy: -42.496
where: short stacking energy: -39.243
Base-Backbone interact. energy: -0.354
local terms energy: -57.114228
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -12.251
flat angles C4'-P-C4' energy: -16.179
flat angles P-C4'-P energy: -7.165
tors. eta vs tors. theta energy: -9.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -86.750202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.750202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.750202 (E_RNA)
where:
Base-Base interactions energy: -39.594
where: short stacking energy: -26.550
Base-Backbone interact. energy: -0.282
local terms energy: -46.874079
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -11.213
flat angles C4'-P-C4' energy: -11.886
flat angles P-C4'-P energy: -8.683
tors. eta vs tors. theta energy: 1.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -91.051876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.051876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.051876 (E_RNA)
where:
Base-Base interactions energy: -41.223
where: short stacking energy: -38.430
Base-Backbone interact. energy: -0.108
local terms energy: -49.720318
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -14.780
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -9.127
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: 10, replica: 9
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -78.256285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.256285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.256285 (E_RNA)
where:
Base-Base interactions energy: -29.301
where: short stacking energy: -29.301
Base-Backbone interact. energy: 1.336
local terms energy: -50.291676
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -11.738
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -6.591
tors. eta vs tors. theta energy: -5.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -226.449954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.449954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.449954 (E_RNA)
where:
Base-Base interactions energy: -148.632
where: short stacking energy: -67.852
Base-Backbone interact. energy: -0.012
local terms energy: -77.805346
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -17.988
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -19.401
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: 2, replica: 5
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -215.609734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.609734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.609734 (E_RNA)
where:
Base-Base interactions energy: -138.386
where: short stacking energy: -69.549
Base-Backbone interact. energy: -0.003
local terms energy: -77.221396
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -14.967
tors. eta vs tors. theta energy: -17.995
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: 1
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -211.867096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.867096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.867096 (E_RNA)
where:
Base-Base interactions energy: -138.431
where: short stacking energy: -66.570
Base-Backbone interact. energy: -0.713
local terms energy: -72.722311
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -11.884
flat angles P-C4'-P energy: -12.534
tors. eta vs tors. theta energy: -15.780
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: 434
Temperature: 1.050000
Total energy: -198.746506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.746506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.746506 (E_RNA)
where:
Base-Base interactions energy: -125.953
where: short stacking energy: -57.657
Base-Backbone interact. energy: 0.902
local terms energy: -73.695909
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -16.409
flat angles C4'-P-C4' energy: -15.410
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -18.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -193.842480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.842480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.842480 (E_RNA)
where:
Base-Base interactions energy: -121.655
where: short stacking energy: -63.533
Base-Backbone interact. energy: -0.416
local terms energy: -71.771541
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -4.128
tors. eta vs tors. theta energy: -20.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -180.519593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.519593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.519593 (E_RNA)
where:
Base-Base interactions energy: -118.541
where: short stacking energy: -45.014
Base-Backbone interact. energy: -0.040
local terms energy: -61.939128
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -11.251
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: -10.970
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: 10
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -90.947443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.947443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.947443 (E_RNA)
where:
Base-Base interactions energy: -44.744
where: short stacking energy: -19.547
Base-Backbone interact. energy: -0.170
local terms energy: -46.033477
where:
bonds (distance) C4'-P energy: -8.946
bonds (distance) P-C4' energy: -13.789
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -0.930
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: 8
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -98.267025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.267025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.267025 (E_RNA)
where:
Base-Base interactions energy: -44.828
where: short stacking energy: -44.828
Base-Backbone interact. energy: 1.391
local terms energy: -54.829593
where:
bonds (distance) C4'-P energy: -9.640
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -3.820
tors. eta vs tors. theta energy: -9.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -95.548371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.548371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.548371 (E_RNA)
where:
Base-Base interactions energy: -40.888
where: short stacking energy: -29.308
Base-Backbone interact. energy: -0.360
local terms energy: -54.300977
where:
bonds (distance) C4'-P energy: -11.040
bonds (distance) P-C4' energy: -15.288
flat angles C4'-P-C4' energy: -11.291
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -6.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -76.715463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.715463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.715463 (E_RNA)
where:
Base-Base interactions energy: -28.566
where: short stacking energy: -28.566
Base-Backbone interact. energy: -0.075
local terms energy: -48.074351
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -11.562
flat angles P-C4'-P energy: -3.715
tors. eta vs tors. theta energy: -5.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -228.938064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.938064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.938064 (E_RNA)
where:
Base-Base interactions energy: -152.133
where: short stacking energy: -78.763
Base-Backbone interact. energy: -0.418
local terms energy: -76.386132
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -12.552
tors. eta vs tors. theta energy: -21.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -226.130989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.130989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.130989 (E_RNA)
where:
Base-Base interactions energy: -147.077
where: short stacking energy: -73.574
Base-Backbone interact. energy: -0.001
local terms energy: -79.052407
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -9.484
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: 5
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -214.719943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.719943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.719943 (E_RNA)
where:
Base-Base interactions energy: -146.526
where: short stacking energy: -63.061
Base-Backbone interact. energy: -0.074
local terms energy: -68.119980
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -12.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -192.445823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.445823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.445823 (E_RNA)
where:
Base-Base interactions energy: -126.251
where: short stacking energy: -54.790
Base-Backbone interact. energy: 0.994
local terms energy: -67.188359
where:
bonds (distance) C4'-P energy: -11.945
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -14.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -181.227107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.227107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.227107 (E_RNA)
where:
Base-Base interactions energy: -111.567
where: short stacking energy: -49.346
Base-Backbone interact. energy: 0.632
local terms energy: -70.291996
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -13.838
tors. eta vs tors. theta energy: -13.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -179.364998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.364998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.364998 (E_RNA)
where:
Base-Base interactions energy: -113.201
where: short stacking energy: -48.970
Base-Backbone interact. energy: -0.004
local terms energy: -66.160251
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -15.918
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -9.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -88.260053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.260053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.260053 (E_RNA)
where:
Base-Base interactions energy: -33.333
where: short stacking energy: -23.657
Base-Backbone interact. energy: -0.282
local terms energy: -54.644948
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: 1.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -100.905458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.905458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.905458 (E_RNA)
where:
Base-Base interactions energy: -42.037
where: short stacking energy: -39.452
Base-Backbone interact. energy: -0.045
local terms energy: -58.823456
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -15.453
flat angles C4'-P-C4' energy: -10.804
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -8.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -84.689291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.689291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.689291 (E_RNA)
where:
Base-Base interactions energy: -35.620
where: short stacking energy: -21.655
Base-Backbone interact. energy: -0.060
local terms energy: -49.009292
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -14.898
flat angles C4'-P-C4' energy: -10.724
flat angles P-C4'-P energy: -6.801
tors. eta vs tors. theta energy: -1.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -69.739267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.739267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.739267 (E_RNA)
where:
Base-Base interactions energy: -24.766
where: short stacking energy: -17.210
Base-Backbone interact. energy: 0.837
local terms energy: -45.810947
where:
bonds (distance) C4'-P energy: -10.204
bonds (distance) P-C4' energy: -11.893
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -0.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -227.699624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.699624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.699624 (E_RNA)
where:
Base-Base interactions energy: -146.323
where: short stacking energy: -64.863
Base-Backbone interact. energy: -0.000
local terms energy: -81.376853
where:
bonds (distance) C4'-P energy: -16.859
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -17.166
flat angles P-C4'-P energy: -12.761
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: 2, replica: 1
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -228.129252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.129252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.129252 (E_RNA)
where:
Base-Base interactions energy: -146.991
where: short stacking energy: -77.691
Base-Backbone interact. energy: -0.157
local terms energy: -80.981950
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -21.115
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: 3
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -198.997991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.997991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.997991 (E_RNA)
where:
Base-Base interactions energy: -134.682
where: short stacking energy: -55.189
Base-Backbone interact. energy: 0.947
local terms energy: -65.262666
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -13.449
flat angles P-C4'-P energy: -10.205
tors. eta vs tors. theta energy: -11.202
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: 436
Temperature: 1.050000
Total energy: -219.880543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.880543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.880543 (E_RNA)
where:
Base-Base interactions energy: -149.267
where: short stacking energy: -69.618
Base-Backbone interact. energy: -0.925
local terms energy: -69.687733
where:
bonds (distance) C4'-P energy: -15.449
bonds (distance) P-C4' energy: -13.357
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -16.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -194.942268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.942268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.942268 (E_RNA)
where:
Base-Base interactions energy: -136.388
where: short stacking energy: -61.659
Base-Backbone interact. energy: -0.045
local terms energy: -58.509393
where:
bonds (distance) C4'-P energy: -8.361
bonds (distance) P-C4' energy: -10.210
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -13.983
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: 2
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -178.238407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.238407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.238407 (E_RNA)
where:
Base-Base interactions energy: -113.494
where: short stacking energy: -61.938
Base-Backbone interact. energy: -0.719
local terms energy: -64.024885
where:
bonds (distance) C4'-P energy: -11.114
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -5.689
tors. eta vs tors. theta energy: -17.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -104.658208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.658208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.658208 (E_RNA)
where:
Base-Base interactions energy: -49.815
where: short stacking energy: -46.744
Base-Backbone interact. energy: -0.298
local terms energy: -54.545164
where:
bonds (distance) C4'-P energy: -9.781
bonds (distance) P-C4' energy: -11.943
flat angles C4'-P-C4' energy: -11.754
flat angles P-C4'-P energy: -14.672
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: 8, replica: 10
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -92.016688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.016688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.016688 (E_RNA)
where:
Base-Base interactions energy: -39.176
where: short stacking energy: -33.856
Base-Backbone interact. energy: 1.152
local terms energy: -53.991806
where:
bonds (distance) C4'-P energy: -7.192
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -8.073
tors. eta vs tors. theta energy: -6.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -93.077770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.077770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.077770 (E_RNA)
where:
Base-Base interactions energy: -39.653
where: short stacking energy: -32.671
Base-Backbone interact. energy: -0.104
local terms energy: -53.321722
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -11.936
flat angles P-C4'-P energy: -6.717
tors. eta vs tors. theta energy: -6.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -87.294713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.294713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.294713 (E_RNA)
where:
Base-Base interactions energy: -35.792
where: short stacking energy: -35.792
Base-Backbone interact. energy: -0.119
local terms energy: -51.382972
where:
bonds (distance) C4'-P energy: -9.090
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -4.617
tors. eta vs tors. theta energy: -9.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -231.794717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.794717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.794717 (E_RNA)
where:
Base-Base interactions energy: -155.044
where: short stacking energy: -72.329
Base-Backbone interact. energy: 0.271
local terms energy: -77.021186
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -12.173
flat angles C4'-P-C4' energy: -17.791
flat angles P-C4'-P energy: -12.587
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: 2, replica: 1
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -221.337116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.337116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.337116 (E_RNA)
where:
Base-Base interactions energy: -144.345
where: short stacking energy: -69.953
Base-Backbone interact. energy: -0.016
local terms energy: -76.976382
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -17.168
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -11.847
tors. eta vs tors. theta energy: -23.242
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: 3
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -192.228467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.228467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.228467 (E_RNA)
where:
Base-Base interactions energy: -121.238
where: short stacking energy: -56.815
Base-Backbone interact. energy: 0.267
local terms energy: -71.257747
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -11.276
tors. eta vs tors. theta energy: -16.408
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: 5
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -220.570705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.570705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.570705 (E_RNA)
where:
Base-Base interactions energy: -147.211
where: short stacking energy: -68.340
Base-Backbone interact. energy: -0.239
local terms energy: -73.120489
where:
bonds (distance) C4'-P energy: -10.020
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -17.642
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -22.420
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: 7
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -175.980423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.980423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.980423 (E_RNA)
where:
Base-Base interactions energy: -117.773
where: short stacking energy: -52.948
Base-Backbone interact. energy: -0.111
local terms energy: -58.096988
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -12.006
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -11.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -175.088403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.088403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.088403 (E_RNA)
where:
Base-Base interactions energy: -113.213
where: short stacking energy: -56.536
Base-Backbone interact. energy: -0.141
local terms energy: -61.734797
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: -9.052
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: 9
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -85.560279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.560279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.560279 (E_RNA)
where:
Base-Base interactions energy: -30.586
where: short stacking energy: -30.586
Base-Backbone interact. energy: -0.107
local terms energy: -54.866921
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -11.021
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -4.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -92.895994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.895994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.895994 (E_RNA)
where:
Base-Base interactions energy: -46.344
where: short stacking energy: -32.600
Base-Backbone interact. energy: 0.151
local terms energy: -46.703513
where:
bonds (distance) C4'-P energy: -8.952
bonds (distance) P-C4' energy: -12.823
flat angles C4'-P-C4' energy: -12.263
flat angles P-C4'-P energy: -9.869
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: 9, replica: 10
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -84.987872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.987872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.987872 (E_RNA)
where:
Base-Base interactions energy: -33.230
where: short stacking energy: -26.009
Base-Backbone interact. energy: 0.525
local terms energy: -52.282789
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -4.152
tors. eta vs tors. theta energy: -6.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -76.976244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.976244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.976244 (E_RNA)
where:
Base-Base interactions energy: -34.177
where: short stacking energy: -26.455
Base-Backbone interact. energy: -0.492
local terms energy: -42.308019
where:
bonds (distance) C4'-P energy: -6.266
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -3.044
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: 4
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -230.298018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.298018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.298018 (E_RNA)
where:
Base-Base interactions energy: -151.304
where: short stacking energy: -74.474
Base-Backbone interact. energy: -0.169
local terms energy: -78.825009
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -9.934
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: 2, replica: 1
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -229.692409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.692409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.692409 (E_RNA)
where:
Base-Base interactions energy: -154.666
where: short stacking energy: -74.452
Base-Backbone interact. energy: -0.006
local terms energy: -75.020503
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -18.984
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: 5
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -223.765975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.765975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.765975 (E_RNA)
where:
Base-Base interactions energy: -147.793
where: short stacking energy: -67.417
Base-Backbone interact. energy: -0.574
local terms energy: -75.398132
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -10.563
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: 438
Temperature: 1.050000
Total energy: -194.692611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.692611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.692611 (E_RNA)
where:
Base-Base interactions energy: -131.341
where: short stacking energy: -55.653
Base-Backbone interact. energy: 0.245
local terms energy: -63.597230
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -13.389
flat angles P-C4'-P energy: -10.976
tors. eta vs tors. theta energy: -13.057
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: 7
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -174.328014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.328014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.328014 (E_RNA)
where:
Base-Base interactions energy: -106.749
where: short stacking energy: -48.276
Base-Backbone interact. energy: -0.513
local terms energy: -67.065809
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -12.504
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: 6, replica: 2
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -193.738842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.738842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.738842 (E_RNA)
where:
Base-Base interactions energy: -126.332
where: short stacking energy: -55.498
Base-Backbone interact. energy: -0.030
local terms energy: -67.376496
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -12.129
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: 7, replica: 6
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -125.575873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.575873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.575873 (E_RNA)
where:
Base-Base interactions energy: -74.232
where: short stacking energy: -36.673
Base-Backbone interact. energy: -0.305
local terms energy: -51.038518
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -16.098
flat angles C4'-P-C4' energy: -10.432
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -3.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -76.658169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.658169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.658169 (E_RNA)
where:
Base-Base interactions energy: -29.954
where: short stacking energy: -28.687
Base-Backbone interact. energy: -0.086
local terms energy: -46.618358
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -8.488
flat angles C4'-P-C4' energy: -11.518
flat angles P-C4'-P energy: -6.678
tors. eta vs tors. theta energy: -6.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -123.774725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.774725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.774725 (E_RNA)
where:
Base-Base interactions energy: -77.198
where: short stacking energy: -37.547
Base-Backbone interact. energy: 0.126
local terms energy: -46.701920
where:
bonds (distance) C4'-P energy: -9.884
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -10.888
flat angles P-C4'-P energy: -6.514
tors. eta vs tors. theta energy: -5.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -71.436880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.436880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.436880 (E_RNA)
where:
Base-Base interactions energy: -30.671
where: short stacking energy: -30.671
Base-Backbone interact. energy: -0.156
local terms energy: -40.610817
where:
bonds (distance) C4'-P energy: -7.085
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -12.261
flat angles P-C4'-P energy: -3.677
tors. eta vs tors. theta energy: -3.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -226.115927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.115927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.115927 (E_RNA)
where:
Base-Base interactions energy: -144.877
where: short stacking energy: -65.830
Base-Backbone interact. energy: -0.015
local terms energy: -81.224562
where:
bonds (distance) C4'-P energy: -12.961
bonds (distance) P-C4' energy: -18.133
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -14.338
tors. eta vs tors. theta energy: -19.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -222.750393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.750393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.750393 (E_RNA)
where:
Base-Base interactions energy: -146.159
where: short stacking energy: -69.538
Base-Backbone interact. energy: -0.047
local terms energy: -76.544728
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -17.166
flat angles C4'-P-C4' energy: -12.774
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -21.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -223.175750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.175750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.175750 (E_RNA)
where:
Base-Base interactions energy: -149.511
where: short stacking energy: -70.784
Base-Backbone interact. energy: -0.414
local terms energy: -73.251391
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -12.925
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -17.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -199.821994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.821994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.821994 (E_RNA)
where:
Base-Base interactions energy: -132.692
where: short stacking energy: -55.643
Base-Backbone interact. energy: -0.124
local terms energy: -67.005753
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -10.979
tors. eta vs tors. theta energy: -14.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -195.628434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.628434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.628434 (E_RNA)
where:
Base-Base interactions energy: -136.144
where: short stacking energy: -61.857
Base-Backbone interact. energy: 0.199
local terms energy: -59.683778
where:
bonds (distance) C4'-P energy: -11.599
bonds (distance) P-C4' energy: -10.949
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -12.739
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: 6, replica: 2
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -182.397248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.397248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.397248 (E_RNA)
where:
Base-Base interactions energy: -115.449
where: short stacking energy: -58.456
Base-Backbone interact. energy: -1.955
local terms energy: -64.992531
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -11.457
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -6.195
tors. eta vs tors. theta energy: -16.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -127.788567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.788567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.788567 (E_RNA)
where:
Base-Base interactions energy: -72.237
where: short stacking energy: -45.569
Base-Backbone interact. energy: -0.796
local terms energy: -54.756195
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -10.366
flat angles P-C4'-P energy: -4.635
tors. eta vs tors. theta energy: -12.598
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: 439
Temperature: 1.250000
Total energy: -83.347366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.347366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.347366 (E_RNA)
where:
Base-Base interactions energy: -36.983
where: short stacking energy: -35.430
Base-Backbone interact. energy: -0.005
local terms energy: -46.358779
where:
bonds (distance) C4'-P energy: -7.459
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -2.446
tors. eta vs tors. theta energy: -6.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -81.628894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.628894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.628894 (E_RNA)
where:
Base-Base interactions energy: -38.520
where: short stacking energy: -30.649
Base-Backbone interact. energy: -0.013
local terms energy: -43.096130
where:
bonds (distance) C4'-P energy: -8.700
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -6.557
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -6.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -74.292083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.292083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.292083 (E_RNA)
where:
Base-Base interactions energy: -32.642
where: short stacking energy: -19.395
Base-Backbone interact. energy: -0.467
local terms energy: -41.183229
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -6.533
flat angles P-C4'-P energy: -6.865
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: 1, replica: 1
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -228.879002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.879002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.879002 (E_RNA)
where:
Base-Base interactions energy: -149.011
where: short stacking energy: -73.334
Base-Backbone interact. energy: -0.588
local terms energy: -79.279711
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -18.020
flat angles P-C4'-P energy: -12.383
tors. eta vs tors. theta energy: -20.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -220.168694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.168694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.168694 (E_RNA)
where:
Base-Base interactions energy: -142.607
where: short stacking energy: -64.954
Base-Backbone interact. energy: -0.002
local terms energy: -77.559362
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -17.471
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -19.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -228.452518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.452518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.452518 (E_RNA)
where:
Base-Base interactions energy: -146.723
where: short stacking energy: -66.096
Base-Backbone interact. energy: -0.375
local terms energy: -81.355218
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -12.327
flat angles P-C4'-P energy: -12.131
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: 4, replica: 7
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -191.422804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.422804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.422804 (E_RNA)
where:
Base-Base interactions energy: -123.751
where: short stacking energy: -53.841
Base-Backbone interact. energy: -0.057
local terms energy: -67.614354
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -12.940
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -12.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -184.116620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.116620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.116620 (E_RNA)
where:
Base-Base interactions energy: -131.088
where: short stacking energy: -55.178
Base-Backbone interact. energy: -0.179
local terms energy: -52.850340
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -12.801
flat angles C4'-P-C4' energy: -11.108
flat angles P-C4'-P energy: -7.551
tors. eta vs tors. theta energy: -6.025
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: 3
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -181.604939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.604939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.604939 (E_RNA)
where:
Base-Base interactions energy: -116.581
where: short stacking energy: -52.661
Base-Backbone interact. energy: -0.031
local terms energy: -64.992462
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -13.533
flat angles C4'-P-C4' energy: -12.351
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -15.792
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: 6
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -129.998425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.998425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.998425 (E_RNA)
where:
Base-Base interactions energy: -76.187
where: short stacking energy: -36.358
Base-Backbone interact. energy: -0.203
local terms energy: -53.607809
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -7.171
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: 8, replica: 9
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -81.389883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.389883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.389883 (E_RNA)
where:
Base-Base interactions energy: -31.345
where: short stacking energy: -30.668
Base-Backbone interact. energy: -0.032
local terms energy: -50.013191
where:
bonds (distance) C4'-P energy: -10.597
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -5.728
tors. eta vs tors. theta energy: -3.336
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: 10
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -77.158373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.158373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.158373 (E_RNA)
where:
Base-Base interactions energy: -31.604
where: short stacking energy: -20.545
Base-Backbone interact. energy: -0.193
local terms energy: -45.361877
where:
bonds (distance) C4'-P energy: -10.310
bonds (distance) P-C4' energy: -8.546
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -6.834
tors. eta vs tors. theta energy: -3.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -92.356762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.356762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.356762 (E_RNA)
where:
Base-Base interactions energy: -44.993
where: short stacking energy: -21.641
Base-Backbone interact. energy: 1.030
local terms energy: -48.394509
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -11.433
flat angles C4'-P-C4' energy: -11.183
flat angles P-C4'-P energy: -11.110
tors. eta vs tors. theta energy: -2.719
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: 1
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -230.966607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.966607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.966607 (E_RNA)
where:
Base-Base interactions energy: -156.577
where: short stacking energy: -66.831
Base-Backbone interact. energy: -0.681
local terms energy: -73.708589
where:
bonds (distance) C4'-P energy: -17.456
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -12.646
flat angles P-C4'-P energy: -7.368
tors. eta vs tors. theta energy: -17.595
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: 5
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -225.908249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.908249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.908249 (E_RNA)
where:
Base-Base interactions energy: -149.010
where: short stacking energy: -71.023
Base-Backbone interact. energy: 0.013
local terms energy: -76.911536
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -11.407
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -14.971
tors. eta vs tors. theta energy: -20.314
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: 4
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -216.116266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.116266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.116266 (E_RNA)
where:
Base-Base interactions energy: -142.129
where: short stacking energy: -62.907
Base-Backbone interact. energy: -1.339
local terms energy: -72.647943
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -13.678
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -20.158
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: 441
Temperature: 1.050000
Total energy: -190.390232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.390232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.390232 (E_RNA)
where:
Base-Base interactions energy: -122.216
where: short stacking energy: -57.534
Base-Backbone interact. energy: -0.517
local terms energy: -67.657152
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -6.130
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: 2
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -174.597418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.597418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.597418 (E_RNA)
where:
Base-Base interactions energy: -123.052
where: short stacking energy: -45.353
Base-Backbone interact. energy: -0.250
local terms energy: -51.295014
where:
bonds (distance) C4'-P energy: -11.620
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -5.596
tors. eta vs tors. theta energy: -6.730
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: 6, replica: 3
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -182.679872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.679872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.679872 (E_RNA)
where:
Base-Base interactions energy: -128.676
where: short stacking energy: -50.228
Base-Backbone interact. energy: -0.124
local terms energy: -53.880075
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -9.709
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -3.392
tors. eta vs tors. theta energy: -14.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -149.173863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.173863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.173863 (E_RNA)
where:
Base-Base interactions energy: -93.418
where: short stacking energy: -49.715
Base-Backbone interact. energy: -0.039
local terms energy: -55.717258
where:
bonds (distance) C4'-P energy: -9.799
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -8.172
tors. eta vs tors. theta energy: -8.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -89.198167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.198167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.198167 (E_RNA)
where:
Base-Base interactions energy: -44.226
where: short stacking energy: -39.038
Base-Backbone interact. energy: 0.497
local terms energy: -45.468745
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -16.105
flat angles C4'-P-C4' energy: -9.222
flat angles P-C4'-P energy: -6.296
tors. eta vs tors. theta energy: 3.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -89.748036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.748036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.748036 (E_RNA)
where:
Base-Base interactions energy: -33.910
where: short stacking energy: -33.897
Base-Backbone interact. energy: 1.278
local terms energy: -57.116627
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -13.153
flat angles C4'-P-C4' energy: -8.919
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -10.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -74.029704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.029704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.029704 (E_RNA)
where:
Base-Base interactions energy: -30.706
where: short stacking energy: -25.193
Base-Backbone interact. energy: -0.265
local terms energy: -43.059617
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -8.746
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -6.455
tors. eta vs tors. theta energy: -2.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -230.141422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.141422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.141422 (E_RNA)
where:
Base-Base interactions energy: -146.326
where: short stacking energy: -66.406
Base-Backbone interact. energy: -0.113
local terms energy: -83.702108
where:
bonds (distance) C4'-P energy: -16.541
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -12.772
tors. eta vs tors. theta energy: -22.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -217.722926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.722926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.722926 (E_RNA)
where:
Base-Base interactions energy: -141.529
where: short stacking energy: -70.068
Base-Backbone interact. energy: -0.075
local terms energy: -76.118897
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -21.312
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: 4
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -207.398135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.398135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.398135 (E_RNA)
where:
Base-Base interactions energy: -137.591
where: short stacking energy: -60.404
Base-Backbone interact. energy: -0.004
local terms energy: -69.803165
where:
bonds (distance) C4'-P energy: -12.156
bonds (distance) P-C4' energy: -12.556
flat angles C4'-P-C4' energy: -14.201
flat angles P-C4'-P energy: -9.807
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: 7
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -186.053731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.053731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.053731 (E_RNA)
where:
Base-Base interactions energy: -121.739
where: short stacking energy: -63.395
Base-Backbone interact. energy: 0.007
local terms energy: -64.320804
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -11.060
flat angles P-C4'-P energy: -7.825
tors. eta vs tors. theta energy: -14.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -177.261319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.261319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.261319 (E_RNA)
where:
Base-Base interactions energy: -121.386
where: short stacking energy: -47.901
Base-Backbone interact. energy: -0.055
local terms energy: -55.820218
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -1.258
tors. eta vs tors. theta energy: -9.128
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: 3
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -176.999922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.999922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.999922 (E_RNA)
where:
Base-Base interactions energy: -117.691
where: short stacking energy: -57.064
Base-Backbone interact. energy: -0.293
local terms energy: -59.016562
where:
bonds (distance) C4'-P energy: -11.411
bonds (distance) P-C4' energy: -14.672
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -5.751
tors. eta vs tors. theta energy: -12.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -100.911704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.911704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.911704 (E_RNA)
where:
Base-Base interactions energy: -49.419
where: short stacking energy: -32.523
Base-Backbone interact. energy: 0.515
local terms energy: -52.008276
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -17.099
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -5.006
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: 8, replica: 6
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -123.234660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.234660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.234660 (E_RNA)
where:
Base-Base interactions energy: -76.187
where: short stacking energy: -28.019
Base-Backbone interact. energy: 0.666
local terms energy: -47.713484
where:
bonds (distance) C4'-P energy: -9.103
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -5.419
tors. eta vs tors. theta energy: -4.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -80.761331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.761331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.761331 (E_RNA)
where:
Base-Base interactions energy: -34.059
where: short stacking energy: -28.351
Base-Backbone interact. energy: -0.150
local terms energy: -46.552085
where:
bonds (distance) C4'-P energy: -9.846
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -11.134
flat angles P-C4'-P energy: -4.650
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: 10, replica: 10
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -72.319506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.319506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.319506 (E_RNA)
where:
Base-Base interactions energy: -28.406
where: short stacking energy: -28.406
Base-Backbone interact. energy: -0.069
local terms energy: -43.845113
where:
bonds (distance) C4'-P energy: -11.027
bonds (distance) P-C4' energy: -11.582
flat angles C4'-P-C4' energy: -15.406
flat angles P-C4'-P energy: -7.259
tors. eta vs tors. theta energy: 1.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -233.530221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.530221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.530221 (E_RNA)
where:
Base-Base interactions energy: -153.966
where: short stacking energy: -70.228
Base-Backbone interact. energy: -0.016
local terms energy: -79.547914
where:
bonds (distance) C4'-P energy: -16.356
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -21.637
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: 4
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -223.355798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.355798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.355798 (E_RNA)
where:
Base-Base interactions energy: -148.686
where: short stacking energy: -60.903
Base-Backbone interact. energy: -0.273
local terms energy: -74.396341
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -13.087
tors. eta vs tors. theta energy: -17.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -217.778670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.778670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.778670 (E_RNA)
where:
Base-Base interactions energy: -147.985
where: short stacking energy: -66.220
Base-Backbone interact. energy: -0.003
local terms energy: -69.790696
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -15.819
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -18.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -197.033382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.033382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.033382 (E_RNA)
where:
Base-Base interactions energy: -133.661
where: short stacking energy: -60.733
Base-Backbone interact. energy: -0.211
local terms energy: -63.160719
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -10.496
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -14.111
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: 7
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -184.218608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.218608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.218608 (E_RNA)
where:
Base-Base interactions energy: -125.622
where: short stacking energy: -58.902
Base-Backbone interact. energy: -0.107
local terms energy: -58.489975
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -13.576
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -6.125
tors. eta vs tors. theta energy: -9.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -190.214024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.214024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.214024 (E_RNA)
where:
Base-Base interactions energy: -125.484
where: short stacking energy: -64.782
Base-Backbone interact. energy: -0.021
local terms energy: -64.708847
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -13.633
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -3.192
tors. eta vs tors. theta energy: -20.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -97.949876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.949876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.949876 (E_RNA)
where:
Base-Base interactions energy: -44.115
where: short stacking energy: -41.380
Base-Backbone interact. energy: -0.234
local terms energy: -53.600847
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -13.284
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: -6.022
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: 8
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -93.552282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.552282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.552282 (E_RNA)
where:
Base-Base interactions energy: -35.810
where: short stacking energy: -35.810
Base-Backbone interact. energy: -0.074
local terms energy: -57.668552
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -13.205
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -4.575
tors. eta vs tors. theta energy: -9.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -86.857875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.857875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.857875 (E_RNA)
where:
Base-Base interactions energy: -43.050
where: short stacking energy: -27.673
Base-Backbone interact. energy: 0.149
local terms energy: -43.957029
where:
bonds (distance) C4'-P energy: -10.331
bonds (distance) P-C4' energy: -9.437
flat angles C4'-P-C4' energy: -15.131
flat angles P-C4'-P energy: -7.586
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: 10, replica: 10
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -79.549004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.549004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.549004 (E_RNA)
where:
Base-Base interactions energy: -33.414
where: short stacking energy: -33.414
Base-Backbone interact. energy: 0.117
local terms energy: -46.252289
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -11.915
flat angles C4'-P-C4' energy: -10.384
flat angles P-C4'-P energy: -8.038
tors. eta vs tors. theta energy: -3.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -225.367417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.367417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.367417 (E_RNA)
where:
Base-Base interactions energy: -151.319
where: short stacking energy: -75.571
Base-Backbone interact. energy: -0.002
local terms energy: -74.046668
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -5.648
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: 2, replica: 1
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -226.111114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.111114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.111114 (E_RNA)
where:
Base-Base interactions energy: -145.900
where: short stacking energy: -70.791
Base-Backbone interact. energy: -0.864
local terms energy: -79.347140
where:
bonds (distance) C4'-P energy: -13.770
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -21.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -220.560147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.560147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.560147 (E_RNA)
where:
Base-Base interactions energy: -143.608
where: short stacking energy: -71.363
Base-Backbone interact. energy: -0.319
local terms energy: -76.632996
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -17.663
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -8.263
tors. eta vs tors. theta energy: -21.476
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: 2
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -190.073675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.073675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.073675 (E_RNA)
where:
Base-Base interactions energy: -125.670
where: short stacking energy: -57.728
Base-Backbone interact. energy: -0.026
local terms energy: -64.377928
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -6.467
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: 5, replica: 3
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -192.550531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.550531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.550531 (E_RNA)
where:
Base-Base interactions energy: -119.021
where: short stacking energy: -57.862
Base-Backbone interact. energy: 0.528
local terms energy: -74.056998
where:
bonds (distance) C4'-P energy: -17.969
bonds (distance) P-C4' energy: -12.026
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -10.553
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: 6, replica: 7
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -185.517767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.517767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.517767 (E_RNA)
where:
Base-Base interactions energy: -118.888
where: short stacking energy: -50.989
Base-Backbone interact. energy: -0.038
local terms energy: -66.592039
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -15.116
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -13.023
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: 8
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -104.082627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.082627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.082627 (E_RNA)
where:
Base-Base interactions energy: -38.013
where: short stacking energy: -36.805
Base-Backbone interact. energy: -0.196
local terms energy: -65.873589
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -15.224
flat angles C4'-P-C4' energy: -17.570
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: -10.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -89.317021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.317021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.317021 (E_RNA)
where:
Base-Base interactions energy: -34.711
where: short stacking energy: -34.711
Base-Backbone interact. energy: -0.170
local terms energy: -54.436396
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -11.398
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -6.102
tors. eta vs tors. theta energy: -5.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -81.294584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.294584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.294584 (E_RNA)
where:
Base-Base interactions energy: -31.776
where: short stacking energy: -29.711
Base-Backbone interact. energy: -0.031
local terms energy: -49.487696
where:
bonds (distance) C4'-P energy: -9.833
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -6.359
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: 10, replica: 6
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -87.272218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.272218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.272218 (E_RNA)
where:
Base-Base interactions energy: -35.138
where: short stacking energy: -34.546
Base-Backbone interact. energy: -0.140
local terms energy: -51.994258
where:
bonds (distance) C4'-P energy: -12.345
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -13.502
flat angles P-C4'-P energy: -9.018
tors. eta vs tors. theta energy: -4.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -229.911601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.911601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.911601 (E_RNA)
where:
Base-Base interactions energy: -153.015
where: short stacking energy: -72.218
Base-Backbone interact. energy: -0.280
local terms energy: -76.616373
where:
bonds (distance) C4'-P energy: -11.850
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -22.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -221.371979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.371979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.371979 (E_RNA)
where:
Base-Base interactions energy: -155.701
where: short stacking energy: -74.965
Base-Backbone interact. energy: -0.151
local terms energy: -65.519810
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -7.763
tors. eta vs tors. theta energy: -18.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -228.479030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.479030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.479030 (E_RNA)
where:
Base-Base interactions energy: -151.821
where: short stacking energy: -70.749
Base-Backbone interact. energy: -0.002
local terms energy: -76.656164
where:
bonds (distance) C4'-P energy: -12.616
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -11.779
tors. eta vs tors. theta energy: -21.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -197.555643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.555643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.555643 (E_RNA)
where:
Base-Base interactions energy: -124.194
where: short stacking energy: -68.940
Base-Backbone interact. energy: -0.019
local terms energy: -73.342608
where:
bonds (distance) C4'-P energy: -15.563
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -17.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -184.359255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.359255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.359255 (E_RNA)
where:
Base-Base interactions energy: -117.106
where: short stacking energy: -52.928
Base-Backbone interact. energy: -0.104
local terms energy: -67.148933
where:
bonds (distance) C4'-P energy: -11.525
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -16.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -175.430933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.430933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.430933 (E_RNA)
where:
Base-Base interactions energy: -114.538
where: short stacking energy: -56.990
Base-Backbone interact. energy: -0.715
local terms energy: -60.177881
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -9.195
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -15.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -100.739432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.739432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.739432 (E_RNA)
where:
Base-Base interactions energy: -48.001
where: short stacking energy: -45.955
Base-Backbone interact. energy: -0.013
local terms energy: -52.725814
where:
bonds (distance) C4'-P energy: -8.038
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -11.822
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -10.116
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: 9
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -92.556879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.556879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.556879 (E_RNA)
where:
Base-Base interactions energy: -34.768
where: short stacking energy: -34.768
Base-Backbone interact. energy: -0.111
local terms energy: -57.677596
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: -9.133
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: 10
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -86.521484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.521484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.521484 (E_RNA)
where:
Base-Base interactions energy: -31.998
where: short stacking energy: -32.198
Base-Backbone interact. energy: -0.080
local terms energy: -54.443094
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -11.907
flat angles C4'-P-C4' energy: -10.544
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -7.098
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: 6
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -83.646601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.646601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.646601 (E_RNA)
where:
Base-Base interactions energy: -33.899
where: short stacking energy: -30.642
Base-Backbone interact. energy: -0.127
local terms energy: -49.620041
where:
bonds (distance) C4'-P energy: -13.406
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -11.059
flat angles P-C4'-P energy: -10.896
tors. eta vs tors. theta energy: -1.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -229.643831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.643831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.643831 (E_RNA)
where:
Base-Base interactions energy: -147.274
where: short stacking energy: -72.808
Base-Backbone interact. energy: -0.000
local terms energy: -82.369516
where:
bonds (distance) C4'-P energy: -17.290
bonds (distance) P-C4' energy: -17.170
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -23.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -223.209449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.209449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.209449 (E_RNA)
where:
Base-Base interactions energy: -149.525
where: short stacking energy: -76.789
Base-Backbone interact. energy: -0.644
local terms energy: -73.041085
where:
bonds (distance) C4'-P energy: -11.990
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -13.568
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -18.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -219.373493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.373493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.373493 (E_RNA)
where:
Base-Base interactions energy: -152.912
where: short stacking energy: -71.107
Base-Backbone interact. energy: -0.013
local terms energy: -66.448482
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -4.823
tors. eta vs tors. theta energy: -19.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -187.911269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.911269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.911269 (E_RNA)
where:
Base-Base interactions energy: -119.033
where: short stacking energy: -58.533
Base-Backbone interact. energy: -0.179
local terms energy: -68.698821
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -11.021
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -16.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -186.953144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.953144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.953144 (E_RNA)
where:
Base-Base interactions energy: -122.231
where: short stacking energy: -61.914
Base-Backbone interact. energy: -0.099
local terms energy: -64.623807
where:
bonds (distance) C4'-P energy: -10.622
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -6.245
tors. eta vs tors. theta energy: -16.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -177.229535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.229535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.229535 (E_RNA)
where:
Base-Base interactions energy: -110.655
where: short stacking energy: -61.212
Base-Backbone interact. energy: -0.017
local terms energy: -66.556650
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -7.126
tors. eta vs tors. theta energy: -15.453
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: 8
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -103.158371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.158371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.158371 (E_RNA)
where:
Base-Base interactions energy: -51.442
where: short stacking energy: -51.442
Base-Backbone interact. energy: -0.024
local terms energy: -51.692231
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -12.028
flat angles P-C4'-P energy: -6.481
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: 8, replica: 9
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -83.494235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.494235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.494235 (E_RNA)
where:
Base-Base interactions energy: -25.911
where: short stacking energy: -25.911
Base-Backbone interact. energy: 0.131
local terms energy: -57.714463
where:
bonds (distance) C4'-P energy: -17.000
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -9.752
flat angles P-C4'-P energy: -8.631
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: 9, replica: 6
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -79.941051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.941051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.941051 (E_RNA)
where:
Base-Base interactions energy: -21.477
where: short stacking energy: -20.993
Base-Backbone interact. energy: -0.402
local terms energy: -58.062643
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -15.429
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -1.551
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: 10, replica: 10
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -83.644608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.644608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.644608 (E_RNA)
where:
Base-Base interactions energy: -31.626
where: short stacking energy: -31.626
Base-Backbone interact. energy: -0.151
local terms energy: -51.868270
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -11.426
flat angles P-C4'-P energy: -5.785
tors. eta vs tors. theta energy: -9.730
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: 1, replica: 4
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -236.661604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.661604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.661604 (E_RNA)
where:
Base-Base interactions energy: -149.262
where: short stacking energy: -75.258
Base-Backbone interact. energy: -0.049
local terms energy: -87.351082
where:
bonds (distance) C4'-P energy: -18.164
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -16.879
flat angles P-C4'-P energy: -13.031
tors. eta vs tors. theta energy: -22.015
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: 2, replica: 5
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -224.100057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.100057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.100057 (E_RNA)
where:
Base-Base interactions energy: -145.797
where: short stacking energy: -68.109
Base-Backbone interact. energy: -0.595
local terms energy: -77.708476
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -17.897
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -20.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -229.478035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.478035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.478035 (E_RNA)
where:
Base-Base interactions energy: -150.378
where: short stacking energy: -73.057
Base-Backbone interact. energy: -0.002
local terms energy: -79.097728
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -10.826
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: 7
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -198.608575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.608575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.608575 (E_RNA)
where:
Base-Base interactions energy: -133.148
where: short stacking energy: -55.676
Base-Backbone interact. energy: -1.361
local terms energy: -64.100084
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -9.497
flat angles P-C4'-P energy: -8.015
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: 5, replica: 2
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -183.538903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.538903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.538903 (E_RNA)
where:
Base-Base interactions energy: -114.705
where: short stacking energy: -56.649
Base-Backbone interact. energy: -0.111
local terms energy: -68.723238
where:
bonds (distance) C4'-P energy: -9.085
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -17.673
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -15.172
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: 447
Temperature: 1.150000
Total energy: -183.921973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.921973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.921973 (E_RNA)
where:
Base-Base interactions energy: -117.833
where: short stacking energy: -63.270
Base-Backbone interact. energy: -0.044
local terms energy: -66.045458
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -12.990
flat angles P-C4'-P energy: -7.087
tors. eta vs tors. theta energy: -18.390
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: 8
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -143.747385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.747385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.747385 (E_RNA)
where:
Base-Base interactions energy: -86.461
where: short stacking energy: -51.050
Base-Backbone interact. energy: -0.072
local terms energy: -57.214427
where:
bonds (distance) C4'-P energy: -11.546
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -2.295
tors. eta vs tors. theta energy: -13.325
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: 9
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -100.132566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.132566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.132566 (E_RNA)
where:
Base-Base interactions energy: -50.668
where: short stacking energy: -41.983
Base-Backbone interact. energy: 0.093
local terms energy: -49.557032
where:
bonds (distance) C4'-P energy: -9.583
bonds (distance) P-C4' energy: -8.188
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -8.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -72.772342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.772342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.772342 (E_RNA)
where:
Base-Base interactions energy: -22.517
where: short stacking energy: -14.771
Base-Backbone interact. energy: -0.191
local terms energy: -50.064668
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -4.822
tors. eta vs tors. theta energy: 0.035
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: 10
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -73.451640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.451640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.451640 (E_RNA)
where:
Base-Base interactions energy: -24.819
where: short stacking energy: -20.525
Base-Backbone interact. energy: -0.068
local terms energy: -48.564930
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -9.463
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: 1.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -226.717700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.717700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.717700 (E_RNA)
where:
Base-Base interactions energy: -145.059
where: short stacking energy: -71.718
Base-Backbone interact. energy: 0.133
local terms energy: -81.792195
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -21.279
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: 5
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -225.811590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.811590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.811590 (E_RNA)
where:
Base-Base interactions energy: -150.339
where: short stacking energy: -73.263
Base-Backbone interact. energy: -0.004
local terms energy: -75.469027
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -11.866
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: 3, replica: 1
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -223.100303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.100303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.100303 (E_RNA)
where:
Base-Base interactions energy: -148.998
where: short stacking energy: -67.630
Base-Backbone interact. energy: -0.004
local terms energy: -74.097964
where:
bonds (distance) C4'-P energy: -10.103
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -11.274
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: 448
Temperature: 1.050000
Total energy: -202.565288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.565288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.565288 (E_RNA)
where:
Base-Base interactions energy: -144.106
where: short stacking energy: -61.787
Base-Backbone interact. energy: -0.396
local terms energy: -58.063458
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -14.661
flat angles C4'-P-C4' energy: -12.736
flat angles P-C4'-P energy: 2.268
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: 5, replica: 3
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -200.702662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.702662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.702662 (E_RNA)
where:
Base-Base interactions energy: -136.598
where: short stacking energy: -65.313
Base-Backbone interact. energy: -0.176
local terms energy: -63.928442
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -12.407
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -12.624
tors. eta vs tors. theta energy: -16.887
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: 2
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -191.572610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.572610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.572610 (E_RNA)
where:
Base-Base interactions energy: -126.194
where: short stacking energy: -51.615
Base-Backbone interact. energy: -1.611
local terms energy: -63.767956
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -11.439
tors. eta vs tors. theta energy: -11.144
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: 8
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -103.730475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.730475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.730475 (E_RNA)
where:
Base-Base interactions energy: -59.398
where: short stacking energy: -23.760
Base-Backbone interact. energy: -0.780
local terms energy: -43.552841
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -12.358
flat angles C4'-P-C4' energy: -9.350
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: 1.025
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: 9
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -81.135400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.135400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.135400 (E_RNA)
where:
Base-Base interactions energy: -41.746
where: short stacking energy: -25.748
Base-Backbone interact. energy: -0.399
local terms energy: -38.989705
where:
bonds (distance) C4'-P energy: -9.682
bonds (distance) P-C4' energy: -11.412
flat angles C4'-P-C4' energy: -11.442
flat angles P-C4'-P energy: -5.922
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: 9, replica: 10
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -99.924728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.924728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.924728 (E_RNA)
where:
Base-Base interactions energy: -53.794
where: short stacking energy: -29.042
Base-Backbone interact. energy: -0.036
local terms energy: -46.094629
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -8.381
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: 0.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -94.746750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.746750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.746750 (E_RNA)
where:
Base-Base interactions energy: -46.492
where: short stacking energy: -21.569
Base-Backbone interact. energy: 0.181
local terms energy: -48.436204
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -11.099
flat angles P-C4'-P energy: -5.410
tors. eta vs tors. theta energy: -5.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -230.944746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.944746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.944746 (E_RNA)
where:
Base-Base interactions energy: -150.231
where: short stacking energy: -64.957
Base-Backbone interact. energy: -0.041
local terms energy: -80.672179
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -18.373
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -8.694
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: 2, replica: 5
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -227.938005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.938005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.938005 (E_RNA)
where:
Base-Base interactions energy: -140.809
where: short stacking energy: -68.920
Base-Backbone interact. energy: -0.683
local terms energy: -86.446627
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -17.988
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -23.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -214.383706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.383706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.383706 (E_RNA)
where:
Base-Base interactions energy: -141.734
where: short stacking energy: -67.276
Base-Backbone interact. energy: -0.438
local terms energy: -72.212227
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -15.249
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -8.263
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: 4, replica: 3
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -199.242788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.242788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.242788 (E_RNA)
where:
Base-Base interactions energy: -126.138
where: short stacking energy: -62.569
Base-Backbone interact. energy: -0.258
local terms energy: -72.846771
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -12.033
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -16.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -192.204581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.204581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.204581 (E_RNA)
where:
Base-Base interactions energy: -125.434
where: short stacking energy: -45.128
Base-Backbone interact. energy: 0.284
local terms energy: -67.054765
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -9.540
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: 2
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -182.862933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.862933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.862933 (E_RNA)
where:
Base-Base interactions energy: -119.353
where: short stacking energy: -63.478
Base-Backbone interact. energy: -0.082
local terms energy: -63.427103
where:
bonds (distance) C4'-P energy: -10.538
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -5.242
tors. eta vs tors. theta energy: -13.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -92.247588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.247588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.247588 (E_RNA)
where:
Base-Base interactions energy: -33.289
where: short stacking energy: -29.479
Base-Backbone interact. energy: -0.044
local terms energy: -58.914111
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -1.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -84.257148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.257148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.257148 (E_RNA)
where:
Base-Base interactions energy: -24.888
where: short stacking energy: -24.888
Base-Backbone interact. energy: -0.039
local terms energy: -59.330557
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -11.711
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -5.225
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: 9, replica: 9
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -99.221752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.221752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.221752 (E_RNA)
where:
Base-Base interactions energy: -49.330
where: short stacking energy: -29.240
Base-Backbone interact. energy: 0.258
local terms energy: -50.149308
where:
bonds (distance) C4'-P energy: -11.255
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -10.581
flat angles P-C4'-P energy: -10.259
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: 10, replica: 6
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -90.745945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.745945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.745945 (E_RNA)
where:
Base-Base interactions energy: -40.020
where: short stacking energy: -26.677
Base-Backbone interact. energy: -0.334
local terms energy: -50.392246
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -11.485
flat angles P-C4'-P energy: -5.884
tors. eta vs tors. theta energy: -0.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -225.745028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.745028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.745028 (E_RNA)
where:
Base-Base interactions energy: -150.130
where: short stacking energy: -69.095
Base-Backbone interact. energy: -0.020
local terms energy: -75.595377
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -6.889
tors. eta vs tors. theta energy: -23.228
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: 2, replica: 4
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -224.667559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.667559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.667559 (E_RNA)
where:
Base-Base interactions energy: -146.937
where: short stacking energy: -64.367
Base-Backbone interact. energy: -0.660
local terms energy: -77.071308
where:
bonds (distance) C4'-P energy: -13.294
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -8.416
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: 3, replica: 3
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -204.020417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.020417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.020417 (E_RNA)
where:
Base-Base interactions energy: -130.617
where: short stacking energy: -56.144
Base-Backbone interact. energy: -0.155
local terms energy: -73.249344
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -15.651
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -6.178
tors. eta vs tors. theta energy: -18.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -195.017894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.017894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.017894 (E_RNA)
where:
Base-Base interactions energy: -119.934
where: short stacking energy: -58.265
Base-Backbone interact. energy: 0.526
local terms energy: -75.610144
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -17.189
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -17.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -184.858596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.858596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.858596 (E_RNA)
where:
Base-Base interactions energy: -119.613
where: short stacking energy: -61.200
Base-Backbone interact. energy: -0.105
local terms energy: -65.140896
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -13.838
flat angles P-C4'-P energy: -8.900
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: 6, replica: 7
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -180.105927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.105927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.105927 (E_RNA)
where:
Base-Base interactions energy: -117.089
where: short stacking energy: -60.004
Base-Backbone interact. energy: -0.078
local terms energy: -62.938408
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -4.665
tors. eta vs tors. theta energy: -15.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -113.529538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.529538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.529538 (E_RNA)
where:
Base-Base interactions energy: -61.750
where: short stacking energy: -29.077
Base-Backbone interact. energy: -1.006
local terms energy: -50.772723
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -11.295
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -5.045
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: 8, replica: 8
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -84.417818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.417818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.417818 (E_RNA)
where:
Base-Base interactions energy: -38.075
where: short stacking energy: -37.830
Base-Backbone interact. energy: -0.026
local terms energy: -46.316308
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -9.098
flat angles C4'-P-C4' energy: -13.920
flat angles P-C4'-P energy: -1.853
tors. eta vs tors. theta energy: -8.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -119.808783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.808783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.808783 (E_RNA)
where:
Base-Base interactions energy: -69.551
where: short stacking energy: -35.033
Base-Backbone interact. energy: -1.959
local terms energy: -48.298386
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -9.639
flat angles C4'-P-C4' energy: -9.179
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -4.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -74.049130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.049130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.049130 (E_RNA)
where:
Base-Base interactions energy: -27.316
where: short stacking energy: -17.821
Base-Backbone interact. energy: -0.103
local terms energy: -46.629602
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -14.147
flat angles C4'-P-C4' energy: -7.321
flat angles P-C4'-P energy: -8.936
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: 5
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -233.813137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.813137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.813137 (E_RNA)
where:
Base-Base interactions energy: -152.772
where: short stacking energy: -69.027
Base-Backbone interact. energy: -0.014
local terms energy: -81.027435
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -13.875
flat angles C4'-P-C4' energy: -18.430
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -21.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -200.954781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.954781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.954781 (E_RNA)
where:
Base-Base interactions energy: -132.756
where: short stacking energy: -65.829
Base-Backbone interact. energy: -0.109
local terms energy: -68.089763
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -12.015
flat angles C4'-P-C4' energy: -17.387
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -14.164
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: 3, replica: 4
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -227.711724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.711724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.711724 (E_RNA)
where:
Base-Base interactions energy: -149.447
where: short stacking energy: -72.565
Base-Backbone interact. energy: -0.003
local terms energy: -78.261599
where:
bonds (distance) C4'-P energy: -14.232
bonds (distance) P-C4' energy: -15.510
flat angles C4'-P-C4' energy: -17.567
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -20.304
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: 4, replica: 2
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -179.740749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.740749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.740749 (E_RNA)
where:
Base-Base interactions energy: -123.012
where: short stacking energy: -60.825
Base-Backbone interact. energy: -0.163
local terms energy: -56.566191
where:
bonds (distance) C4'-P energy: -8.237
bonds (distance) P-C4' energy: -13.119
flat angles C4'-P-C4' energy: -11.982
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: -15.631
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: 1
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -191.594070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.594070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.594070 (E_RNA)
where:
Base-Base interactions energy: -120.857
where: short stacking energy: -61.140
Base-Backbone interact. energy: -0.076
local terms energy: -70.661373
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -15.238
flat angles C4'-P-C4' energy: -16.987
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: -16.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -142.403880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.403880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.403880 (E_RNA)
where:
Base-Base interactions energy: -85.395
where: short stacking energy: -40.024
Base-Backbone interact. energy: -0.276
local terms energy: -56.731892
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -10.856
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -7.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -178.695587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.695587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.695587 (E_RNA)
where:
Base-Base interactions energy: -119.742
where: short stacking energy: -56.929
Base-Backbone interact. energy: 0.834
local terms energy: -59.788255
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -10.618
flat angles P-C4'-P energy: -10.355
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: 8, replica: 9
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -126.776767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.776767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.776767 (E_RNA)
where:
Base-Base interactions energy: -74.889
where: short stacking energy: -31.234
Base-Backbone interact. energy: -0.949
local terms energy: -50.938789
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -13.333
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: -7.221
tors. eta vs tors. theta energy: -6.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -78.026376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.026376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.026376 (E_RNA)
where:
Base-Base interactions energy: -31.534
where: short stacking energy: -31.534
Base-Backbone interact. energy: 1.780
local terms energy: -48.271911
where:
bonds (distance) C4'-P energy: -12.118
bonds (distance) P-C4' energy: -11.035
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -0.619
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: 6
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -72.092458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.092458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.092458 (E_RNA)
where:
Base-Base interactions energy: -34.340
where: short stacking energy: -11.372
Base-Backbone interact. energy: 0.181
local terms energy: -37.933827
where:
bonds (distance) C4'-P energy: -9.211
bonds (distance) P-C4' energy: -8.850
flat angles C4'-P-C4' energy: -12.353
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: 0.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -202.247080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.247080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.247080 (E_RNA)
where:
Base-Base interactions energy: -131.153
where: short stacking energy: -56.648
Base-Backbone interact. energy: -0.532
local terms energy: -70.562566
where:
bonds (distance) C4'-P energy: -17.250
bonds (distance) P-C4' energy: -16.596
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -9.491
tors. eta vs tors. theta energy: -11.717
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: 5
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -228.049341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.049341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.049341 (E_RNA)
where:
Base-Base interactions energy: -142.747
where: short stacking energy: -70.384
Base-Backbone interact. energy: -0.499
local terms energy: -84.803032
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -17.124
flat angles P-C4'-P energy: -15.022
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: 452
Temperature: 1.000000
Total energy: -220.038559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.038559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.038559 (E_RNA)
where:
Base-Base interactions energy: -144.062
where: short stacking energy: -74.439
Base-Backbone interact. energy: -0.631
local terms energy: -75.345508
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: -19.960
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: 2
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -198.389076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.389076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.389076 (E_RNA)
where:
Base-Base interactions energy: -132.479
where: short stacking energy: -57.902
Base-Backbone interact. energy: -0.449
local terms energy: -65.460671
where:
bonds (distance) C4'-P energy: -16.253
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -7.077
tors. eta vs tors. theta energy: -13.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -194.081179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.081179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.081179 (E_RNA)
where:
Base-Base interactions energy: -124.810
where: short stacking energy: -62.293
Base-Backbone interact. energy: 0.056
local terms energy: -69.327955
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -14.605
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -15.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -123.473503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.473503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.473503 (E_RNA)
where:
Base-Base interactions energy: -70.235
where: short stacking energy: -45.106
Base-Backbone interact. energy: -0.004
local terms energy: -53.234114
where:
bonds (distance) C4'-P energy: -9.601
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -10.458
flat angles P-C4'-P energy: -3.894
tors. eta vs tors. theta energy: -12.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -178.369770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.369770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.369770 (E_RNA)
where:
Base-Base interactions energy: -113.642
where: short stacking energy: -42.935
Base-Backbone interact. energy: -0.856
local terms energy: -63.871960
where:
bonds (distance) C4'-P energy: -10.538
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -7.641
tors. eta vs tors. theta energy: -13.479
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: 9
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -124.819928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.819928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.819928 (E_RNA)
where:
Base-Base interactions energy: -76.191
where: short stacking energy: -36.659
Base-Backbone interact. energy: 0.776
local terms energy: -49.405627
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -10.683
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -6.324
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: 6
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -81.395553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.395553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.395553 (E_RNA)
where:
Base-Base interactions energy: -20.897
where: short stacking energy: -20.897
Base-Backbone interact. energy: -0.075
local terms energy: -60.424213
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -19.131
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -8.037
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: 10, replica: 8
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -81.010007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.010007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.010007 (E_RNA)
where:
Base-Base interactions energy: -30.394
where: short stacking energy: -23.028
Base-Backbone interact. energy: 0.008
local terms energy: -50.623987
where:
bonds (distance) C4'-P energy: -11.852
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -10.851
flat angles P-C4'-P energy: -3.765
tors. eta vs tors. theta energy: -7.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -196.455615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.455615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.455615 (E_RNA)
where:
Base-Base interactions energy: -122.104
where: short stacking energy: -62.159
Base-Backbone interact. energy: -0.096
local terms energy: -74.255176
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -15.616
flat angles P-C4'-P energy: -6.781
tors. eta vs tors. theta energy: -18.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -232.356909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.356909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.356909 (E_RNA)
where:
Base-Base interactions energy: -155.023
where: short stacking energy: -78.432
Base-Backbone interact. energy: -0.030
local terms energy: -77.303501
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -20.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -231.221913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.221913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.221913 (E_RNA)
where:
Base-Base interactions energy: -154.674
where: short stacking energy: -76.687
Base-Backbone interact. energy: -0.023
local terms energy: -76.524446
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -13.824
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: 4, replica: 1
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -195.755642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.755642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.755642 (E_RNA)
where:
Base-Base interactions energy: -131.210
where: short stacking energy: -59.102
Base-Backbone interact. energy: -0.004
local terms energy: -64.542341
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -12.364
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: -15.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -177.234055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.234055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.234055 (E_RNA)
where:
Base-Base interactions energy: -113.536
where: short stacking energy: -44.253
Base-Backbone interact. energy: -0.023
local terms energy: -63.674848
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -11.629
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -10.285
tors. eta vs tors. theta energy: -12.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -171.247668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.247668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.247668 (E_RNA)
where:
Base-Base interactions energy: -113.476
where: short stacking energy: -47.322
Base-Backbone interact. energy: -0.232
local terms energy: -57.539244
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -16.703
flat angles P-C4'-P energy: -5.157
tors. eta vs tors. theta energy: -7.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -104.587076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.587076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.587076 (E_RNA)
where:
Base-Base interactions energy: -50.415
where: short stacking energy: -26.637
Base-Backbone interact. energy: -0.114
local terms energy: -54.058134
where:
bonds (distance) C4'-P energy: -15.226
bonds (distance) P-C4' energy: -15.073
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -2.406
tors. eta vs tors. theta energy: -7.226
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: 453
Temperature: 1.250000
Total energy: -136.657053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.657053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.657053 (E_RNA)
where:
Base-Base interactions energy: -84.410
where: short stacking energy: -38.781
Base-Backbone interact. energy: -0.274
local terms energy: -51.973520
where:
bonds (distance) C4'-P energy: -10.666
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -5.885
tors. eta vs tors. theta energy: -5.657
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: 9, replica: 6
=====================================
Write number: 453
Temperature: 1.300000
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: -56.226
where: short stacking energy: -24.075
Base-Backbone interact. energy: -0.212
local terms energy: -48.498395
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -11.946
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: 10, replica: 8
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -70.036604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.036604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.036604 (E_RNA)
where:
Base-Base interactions energy: -34.541
where: short stacking energy: -21.029
Base-Backbone interact. energy: -0.590
local terms energy: -34.905391
where:
bonds (distance) C4'-P energy: -8.778
bonds (distance) P-C4' energy: -11.429
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -1.979
tors. eta vs tors. theta energy: 0.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -232.384956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.384956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.384956 (E_RNA)
where:
Base-Base interactions energy: -159.185
where: short stacking energy: -73.562
Base-Backbone interact. energy: 0.740
local terms energy: -73.939114
where:
bonds (distance) C4'-P energy: -9.243
bonds (distance) P-C4' energy: -17.260
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -20.461
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: 2, replica: 3
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -199.845953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.845953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.845953 (E_RNA)
where:
Base-Base interactions energy: -135.482
where: short stacking energy: -62.520
Base-Backbone interact. energy: -0.455
local terms energy: -63.908866
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -12.310
flat angles C4'-P-C4' energy: -13.619
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: -14.882
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: 4
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -218.770210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.770210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.770210 (E_RNA)
where:
Base-Base interactions energy: -150.464
where: short stacking energy: -71.333
Base-Backbone interact. energy: -0.040
local terms energy: -68.265385
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -11.689
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: -20.252
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: 4, replica: 1
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -213.228677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.228677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.228677 (E_RNA)
where:
Base-Base interactions energy: -140.707
where: short stacking energy: -66.403
Base-Backbone interact. energy: -0.019
local terms energy: -72.502404
where:
bonds (distance) C4'-P energy: -11.643
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -10.478
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: 5, replica: 2
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -199.786673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.786673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.786673 (E_RNA)
where:
Base-Base interactions energy: -135.570
where: short stacking energy: -62.109
Base-Backbone interact. energy: 0.003
local terms energy: -64.219416
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -12.444
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -7.020
tors. eta vs tors. theta energy: -16.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -168.832886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.832886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.832886 (E_RNA)
where:
Base-Base interactions energy: -110.930
where: short stacking energy: -57.182
Base-Backbone interact. energy: -0.369
local terms energy: -57.533389
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -12.705
flat angles C4'-P-C4' energy: -7.905
flat angles P-C4'-P energy: -8.562
tors. eta vs tors. theta energy: -13.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -139.032756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.032756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.032756 (E_RNA)
where:
Base-Base interactions energy: -79.744
where: short stacking energy: -43.465
Base-Backbone interact. energy: -1.159
local terms energy: -58.130618
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -7.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -97.105193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.105193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.105193 (E_RNA)
where:
Base-Base interactions energy: -46.009
where: short stacking energy: -27.300
Base-Backbone interact. energy: -0.051
local terms energy: -51.045341
where:
bonds (distance) C4'-P energy: -10.899
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -9.875
flat angles P-C4'-P energy: -11.315
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: 8
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -95.261691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.261691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.261691 (E_RNA)
where:
Base-Base interactions energy: -38.326
where: short stacking energy: -38.326
Base-Backbone interact. energy: -0.075
local terms energy: -56.861184
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -7.816
tors. eta vs tors. theta energy: -6.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -100.851181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.851181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.851181 (E_RNA)
where:
Base-Base interactions energy: -57.298
where: short stacking energy: -23.357
Base-Backbone interact. energy: -0.409
local terms energy: -43.143567
where:
bonds (distance) C4'-P energy: -12.241
bonds (distance) P-C4' energy: -9.925
flat angles C4'-P-C4' energy: -4.474
flat angles P-C4'-P energy: -14.036
tors. eta vs tors. theta energy: -2.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -234.618538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.618538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.618538 (E_RNA)
where:
Base-Base interactions energy: -152.681
where: short stacking energy: -75.680
Base-Backbone interact. energy: -0.089
local terms energy: -81.849132
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -18.825
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -19.876
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: 4
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -232.090946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.090946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.090946 (E_RNA)
where:
Base-Base interactions energy: -153.169
where: short stacking energy: -77.079
Base-Backbone interact. energy: -0.001
local terms energy: -78.920588
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -11.936
tors. eta vs tors. theta energy: -20.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -198.301247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.301247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.301247 (E_RNA)
where:
Base-Base interactions energy: -127.105
where: short stacking energy: -63.370
Base-Backbone interact. energy: 0.464
local terms energy: -71.660293
where:
bonds (distance) C4'-P energy: -13.189
bonds (distance) P-C4' energy: -17.448
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -9.550
tors. eta vs tors. theta energy: -16.558
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: 1
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -214.859647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.859647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.859647 (E_RNA)
where:
Base-Base interactions energy: -145.019
where: short stacking energy: -62.155
Base-Backbone interact. energy: -0.009
local terms energy: -69.831683
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -14.880
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -8.334
tors. eta vs tors. theta energy: -20.434
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: 2
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -183.855253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.855253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.855253 (E_RNA)
where:
Base-Base interactions energy: -117.083
where: short stacking energy: -51.384
Base-Backbone interact. energy: -0.039
local terms energy: -66.733535
where:
bonds (distance) C4'-P energy: -17.108
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -6.612
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: 6, replica: 7
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -189.172730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.172730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.172730 (E_RNA)
where:
Base-Base interactions energy: -121.770
where: short stacking energy: -63.348
Base-Backbone interact. energy: -0.002
local terms energy: -67.400652
where:
bonds (distance) C4'-P energy: -12.345
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -14.521
flat angles P-C4'-P energy: -7.550
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: 7, replica: 9
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -104.281417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.281417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.281417 (E_RNA)
where:
Base-Base interactions energy: -54.334
where: short stacking energy: -25.842
Base-Backbone interact. energy: -0.168
local terms energy: -49.780257
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -6.918
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: 8, replica: 8
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -91.785684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.785684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.785684 (E_RNA)
where:
Base-Base interactions energy: -37.674
where: short stacking energy: -36.927
Base-Backbone interact. energy: -0.100
local terms energy: -54.011294
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -11.745
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -6.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -95.124308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.124308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.124308 (E_RNA)
where:
Base-Base interactions energy: -57.443
where: short stacking energy: -23.324
Base-Backbone interact. energy: -0.221
local terms energy: -37.459623
where:
bonds (distance) C4'-P energy: -11.570
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -8.253
flat angles P-C4'-P energy: -2.652
tors. eta vs tors. theta energy: -0.947
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: 6
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -78.915352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.915352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.915352 (E_RNA)
where:
Base-Base interactions energy: -28.630
where: short stacking energy: -21.637
Base-Backbone interact. energy: -0.110
local terms energy: -50.175012
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: 2.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -235.635228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.635228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.635228 (E_RNA)
where:
Base-Base interactions energy: -162.898
where: short stacking energy: -76.740
Base-Backbone interact. energy: 0.244
local terms energy: -72.981164
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -9.084
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: 2, replica: 5
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -229.471932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.471932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.471932 (E_RNA)
where:
Base-Base interactions energy: -151.573
where: short stacking energy: -72.058
Base-Backbone interact. energy: -0.513
local terms energy: -77.385966
where:
bonds (distance) C4'-P energy: -15.085
bonds (distance) P-C4' energy: -17.427
flat angles C4'-P-C4' energy: -16.735
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -19.195
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: 3, replica: 3
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -195.364333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.364333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.364333 (E_RNA)
where:
Base-Base interactions energy: -126.627
where: short stacking energy: -60.540
Base-Backbone interact. energy: -0.004
local terms energy: -68.733238
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -16.727
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: 4, replica: 1
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -210.951852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.951852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.951852 (E_RNA)
where:
Base-Base interactions energy: -137.337
where: short stacking energy: -71.386
Base-Backbone interact. energy: -0.021
local terms energy: -73.593705
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -21.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -189.077214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.077214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.077214 (E_RNA)
where:
Base-Base interactions energy: -120.630
where: short stacking energy: -59.619
Base-Backbone interact. energy: -0.103
local terms energy: -68.344283
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -15.866
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -6.629
tors. eta vs tors. theta energy: -18.891
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: 7
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -178.717435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.717435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.717435 (E_RNA)
where:
Base-Base interactions energy: -118.788
where: short stacking energy: -52.049
Base-Backbone interact. energy: -0.234
local terms energy: -59.694842
where:
bonds (distance) C4'-P energy: -10.849
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -11.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -89.583089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.583089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.583089 (E_RNA)
where:
Base-Base interactions energy: -40.214
where: short stacking energy: -40.214
Base-Backbone interact. energy: -0.066
local terms energy: -49.302742
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -8.655
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -4.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -121.734066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.734066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.734066 (E_RNA)
where:
Base-Base interactions energy: -71.400
where: short stacking energy: -28.630
Base-Backbone interact. energy: -0.508
local terms energy: -49.826581
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -11.546
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -6.390
tors. eta vs tors. theta energy: -1.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -88.687604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.687604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.687604 (E_RNA)
where:
Base-Base interactions energy: -33.050
where: short stacking energy: -33.050
Base-Backbone interact. energy: 0.093
local terms energy: -55.730359
where:
bonds (distance) C4'-P energy: -11.443
bonds (distance) P-C4' energy: -13.358
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -7.447
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: 10
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -81.077834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.077834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.077834 (E_RNA)
where:
Base-Base interactions energy: -29.735
where: short stacking energy: -28.992
Base-Backbone interact. energy: -0.200
local terms energy: -51.142564
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -11.087
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -3.236
tors. eta vs tors. theta energy: -10.564
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: 4
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -238.022446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.022446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.022446 (E_RNA)
where:
Base-Base interactions energy: -157.320
where: short stacking energy: -81.453
Base-Backbone interact. energy: -0.640
local terms energy: -80.062713
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -13.492
tors. eta vs tors. theta energy: -19.950
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: 5
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -230.055760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.055760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.055760 (E_RNA)
where:
Base-Base interactions energy: -155.550
where: short stacking energy: -75.737
Base-Backbone interact. energy: -0.007
local terms energy: -74.499069
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -11.832
flat angles P-C4'-P energy: -13.249
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: 3
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -191.935891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.935891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.935891 (E_RNA)
where:
Base-Base interactions energy: -116.615
where: short stacking energy: -61.280
Base-Backbone interact. energy: -0.064
local terms energy: -75.256930
where:
bonds (distance) C4'-P energy: -17.625
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -12.309
tors. eta vs tors. theta energy: -15.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -204.519213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.519213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.519213 (E_RNA)
where:
Base-Base interactions energy: -133.561
where: short stacking energy: -68.818
Base-Backbone interact. energy: -0.052
local terms energy: -70.905796
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -17.446
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: 2
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -175.931788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.931788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.931788 (E_RNA)
where:
Base-Base interactions energy: -110.098
where: short stacking energy: -45.294
Base-Backbone interact. energy: -0.004
local terms energy: -65.829614
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -9.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -96.391674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.391674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.391674 (E_RNA)
where:
Base-Base interactions energy: -34.304
where: short stacking energy: -34.304
Base-Backbone interact. energy: -0.026
local terms energy: -62.062441
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -11.412
flat angles P-C4'-P energy: -10.407
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: 7, replica: 7
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -167.944133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.944133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.944133 (E_RNA)
where:
Base-Base interactions energy: -107.199
where: short stacking energy: -49.232
Base-Backbone interact. energy: -0.116
local terms energy: -60.628849
where:
bonds (distance) C4'-P energy: -15.598
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -6.914
tors. eta vs tors. theta energy: -10.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -84.878201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.878201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.878201 (E_RNA)
where:
Base-Base interactions energy: -37.486
where: short stacking energy: -24.672
Base-Backbone interact. energy: -0.690
local terms energy: -46.701651
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -9.433
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -2.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -130.514630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.514630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.514630 (E_RNA)
where:
Base-Base interactions energy: -65.955
where: short stacking energy: -39.177
Base-Backbone interact. energy: -0.505
local terms energy: -64.054555
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -11.851
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: 10
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -78.560767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.560767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.560767 (E_RNA)
where:
Base-Base interactions energy: -27.675
where: short stacking energy: -27.675
Base-Backbone interact. energy: 0.596
local terms energy: -51.481361
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -12.692
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: -1.922
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: 1, replica: 4
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -230.483780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.483780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.483780 (E_RNA)
where:
Base-Base interactions energy: -150.502
where: short stacking energy: -70.337
Base-Backbone interact. energy: -0.440
local terms energy: -79.541996
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -11.670
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: 2, replica: 5
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -214.645170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.645170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.645170 (E_RNA)
where:
Base-Base interactions energy: -141.722
where: short stacking energy: -66.719
Base-Backbone interact. energy: -0.255
local terms energy: -72.667605
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -14.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -223.336444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.336444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.336444 (E_RNA)
where:
Base-Base interactions energy: -153.934
where: short stacking energy: -71.694
Base-Backbone interact. energy: -0.136
local terms energy: -69.266271
where:
bonds (distance) C4'-P energy: -11.483
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -12.014
tors. eta vs tors. theta energy: -16.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -188.631787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.631787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.631787 (E_RNA)
where:
Base-Base interactions energy: -118.105
where: short stacking energy: -51.204
Base-Backbone interact. energy: -0.029
local terms energy: -70.497399
where:
bonds (distance) C4'-P energy: -16.665
bonds (distance) P-C4' energy: -17.329
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -10.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -108.266530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.266530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.266530 (E_RNA)
where:
Base-Base interactions energy: -50.357
where: short stacking energy: -50.357
Base-Backbone interact. energy: -0.008
local terms energy: -57.900937
where:
bonds (distance) C4'-P energy: -13.472
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -8.462
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: -10.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -163.561577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.561577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.561577 (E_RNA)
where:
Base-Base interactions energy: -100.689
where: short stacking energy: -44.811
Base-Backbone interact. energy: -0.064
local terms energy: -62.808900
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -10.520
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -10.851
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: 7
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -174.885888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.885888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.885888 (E_RNA)
where:
Base-Base interactions energy: -109.528
where: short stacking energy: -45.900
Base-Backbone interact. energy: -0.349
local terms energy: -65.008600
where:
bonds (distance) C4'-P energy: -11.318
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -8.186
flat angles P-C4'-P energy: -11.362
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: 8, replica: 6
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -94.443880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.443880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.443880 (E_RNA)
where:
Base-Base interactions energy: -32.702
where: short stacking energy: -33.102
Base-Backbone interact. energy: -0.084
local terms energy: -61.657742
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -9.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -76.067741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.067741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.067741 (E_RNA)
where:
Base-Base interactions energy: -25.465
where: short stacking energy: -25.465
Base-Backbone interact. energy: -0.161
local terms energy: -50.441769
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -10.862
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -2.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -108.386685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.386685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.386685 (E_RNA)
where:
Base-Base interactions energy: -53.239
where: short stacking energy: -26.424
Base-Backbone interact. energy: -0.233
local terms energy: -54.914965
where:
bonds (distance) C4'-P energy: -12.317
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -9.590
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -5.642
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: 1, replica: 4
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -224.643698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.643698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.643698 (E_RNA)
where:
Base-Base interactions energy: -146.469
where: short stacking energy: -64.233
Base-Backbone interact. energy: -0.401
local terms energy: -77.773359
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -18.100
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -15.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -223.042873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.042873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.042873 (E_RNA)
where:
Base-Base interactions energy: -145.507
where: short stacking energy: -71.720
Base-Backbone interact. energy: -0.575
local terms energy: -76.961801
where:
bonds (distance) C4'-P energy: -11.126
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -15.876
flat angles P-C4'-P energy: -11.844
tors. eta vs tors. theta energy: -22.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -203.188400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.188400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.188400 (E_RNA)
where:
Base-Base interactions energy: -134.763
where: short stacking energy: -66.608
Base-Backbone interact. energy: -0.076
local terms energy: -68.349573
where:
bonds (distance) C4'-P energy: -9.686
bonds (distance) P-C4' energy: -13.805
flat angles C4'-P-C4' energy: -17.816
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -17.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -196.224275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.224275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.224275 (E_RNA)
where:
Base-Base interactions energy: -140.790
where: short stacking energy: -55.554
Base-Backbone interact. energy: -1.227
local terms energy: -54.207162
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -11.878
flat angles P-C4'-P energy: -3.484
tors. eta vs tors. theta energy: -13.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -95.674542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.674542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.674542 (E_RNA)
where:
Base-Base interactions energy: -32.919
where: short stacking energy: -30.322
Base-Backbone interact. energy: -0.005
local terms energy: -62.751027
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -11.447
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: 6, replica: 7
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -179.896932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.896932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.896932 (E_RNA)
where:
Base-Base interactions energy: -121.761
where: short stacking energy: -47.192
Base-Backbone interact. energy: -0.044
local terms energy: -58.091924
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -3.233
tors. eta vs tors. theta energy: -11.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -172.870651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.870651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.870651 (E_RNA)
where:
Base-Base interactions energy: -111.691
where: short stacking energy: -45.686
Base-Backbone interact. energy: -0.830
local terms energy: -60.350102
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -9.933
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: -12.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -83.318586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.318586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.318586 (E_RNA)
where:
Base-Base interactions energy: -33.520
where: short stacking energy: -23.891
Base-Backbone interact. energy: 1.232
local terms energy: -51.030909
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: 0.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -81.287821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.287821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.287821 (E_RNA)
where:
Base-Base interactions energy: -28.090
where: short stacking energy: -25.028
Base-Backbone interact. energy: -0.070
local terms energy: -53.127655
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -11.906
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -10.237
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: 10, replica: 8
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -75.358058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.358058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.358058 (E_RNA)
where:
Base-Base interactions energy: -29.994
where: short stacking energy: -29.856
Base-Backbone interact. energy: -0.189
local terms energy: -45.175944
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -11.384
flat angles C4'-P-C4' energy: -11.766
flat angles P-C4'-P energy: -7.421
tors. eta vs tors. theta energy: -1.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -228.728666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.728666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.728666 (E_RNA)
where:
Base-Base interactions energy: -154.970
where: short stacking energy: -69.464
Base-Backbone interact. energy: -0.139
local terms energy: -73.620151
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -17.129
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -20.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -229.459524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.459524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.459524 (E_RNA)
where:
Base-Base interactions energy: -152.019
where: short stacking energy: -69.924
Base-Backbone interact. energy: -0.061
local terms energy: -77.378783
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -21.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -217.539252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.539252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.539252 (E_RNA)
where:
Base-Base interactions energy: -139.895
where: short stacking energy: -74.935
Base-Backbone interact. energy: -0.807
local terms energy: -76.837724
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -18.679
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: -20.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -194.907516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.907516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.907516 (E_RNA)
where:
Base-Base interactions energy: -133.411
where: short stacking energy: -59.847
Base-Backbone interact. energy: -0.013
local terms energy: -61.483699
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -11.795
flat angles C4'-P-C4' energy: -14.634
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -11.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -183.155293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.155293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.155293 (E_RNA)
where:
Base-Base interactions energy: -118.501
where: short stacking energy: -59.840
Base-Backbone interact. energy: -0.087
local terms energy: -64.566751
where:
bonds (distance) C4'-P energy: -17.502
bonds (distance) P-C4' energy: -10.940
flat angles C4'-P-C4' energy: -12.427
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -14.073
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: 6, replica: 9
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -88.963899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.963899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.963899 (E_RNA)
where:
Base-Base interactions energy: -37.781
where: short stacking energy: -29.973
Base-Backbone interact. energy: -0.701
local terms energy: -50.481885
where:
bonds (distance) C4'-P energy: -10.659
bonds (distance) P-C4' energy: -12.138
flat angles C4'-P-C4' energy: -12.323
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -4.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -182.864887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.864887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.864887 (E_RNA)
where:
Base-Base interactions energy: -117.506
where: short stacking energy: -59.631
Base-Backbone interact. energy: -0.009
local terms energy: -65.349446
where:
bonds (distance) C4'-P energy: -12.311
bonds (distance) P-C4' energy: -15.146
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -6.081
tors. eta vs tors. theta energy: -17.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -78.016908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.016908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.016908 (E_RNA)
where:
Base-Base interactions energy: -26.619
where: short stacking energy: -26.619
Base-Backbone interact. energy: -0.131
local terms energy: -51.267723
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -3.402
tors. eta vs tors. theta energy: -3.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -78.537397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.537397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.537397 (E_RNA)
where:
Base-Base interactions energy: -25.691
where: short stacking energy: -23.270
Base-Backbone interact. energy: -0.027
local terms energy: -52.818786
where:
bonds (distance) C4'-P energy: -10.953
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: -2.391
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: 460
Temperature: 1.350000
Total energy: -71.715324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.715324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.715324 (E_RNA)
where:
Base-Base interactions energy: -15.354
where: short stacking energy: -15.354
Base-Backbone interact. energy: -0.011
local terms energy: -56.349846
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -11.876
flat angles P-C4'-P energy: -11.333
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: 1, replica: 1
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -223.755683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.755683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.755683 (E_RNA)
where:
Base-Base interactions energy: -145.937
where: short stacking energy: -63.629
Base-Backbone interact. energy: -0.672
local terms energy: -77.146528
where:
bonds (distance) C4'-P energy: -16.451
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -6.958
tors. eta vs tors. theta energy: -20.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -233.861673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.861673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.861673 (E_RNA)
where:
Base-Base interactions energy: -156.548
where: short stacking energy: -75.012
Base-Backbone interact. energy: -0.803
local terms energy: -76.511068
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -19.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -209.113588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.113588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.113588 (E_RNA)
where:
Base-Base interactions energy: -140.113
where: short stacking energy: -58.422
Base-Backbone interact. energy: -0.004
local terms energy: -68.996510
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -14.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -204.060252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.060252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.060252 (E_RNA)
where:
Base-Base interactions energy: -129.233
where: short stacking energy: -65.853
Base-Backbone interact. energy: -0.103
local terms energy: -74.723946
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -5.588
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: 5, replica: 3
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -193.319637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.319637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.319637 (E_RNA)
where:
Base-Base interactions energy: -125.700
where: short stacking energy: -60.577
Base-Backbone interact. energy: -0.121
local terms energy: -67.498623
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -16.059
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: -15.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -181.671785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.671785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.671785 (E_RNA)
where:
Base-Base interactions energy: -116.766
where: short stacking energy: -52.588
Base-Backbone interact. energy: -0.143
local terms energy: -64.762372
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -6.382
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: 7, replica: 9
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -87.678628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.678628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.678628 (E_RNA)
where:
Base-Base interactions energy: -33.523
where: short stacking energy: -27.093
Base-Backbone interact. energy: -0.390
local terms energy: -53.765787
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -10.261
flat angles C4'-P-C4' energy: -13.066
flat angles P-C4'-P energy: -8.229
tors. eta vs tors. theta energy: -7.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -95.868449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.868449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.868449 (E_RNA)
where:
Base-Base interactions energy: -38.173
where: short stacking energy: -37.005
Base-Backbone interact. energy: -0.046
local terms energy: -57.649424
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -9.130
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -10.781
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: 6
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -81.519577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.519577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.519577 (E_RNA)
where:
Base-Base interactions energy: -37.384
where: short stacking energy: -32.660
Base-Backbone interact. energy: -0.057
local terms energy: -44.078715
where:
bonds (distance) C4'-P energy: -6.441
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -5.990
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -4.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -82.911284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.911284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.911284 (E_RNA)
where:
Base-Base interactions energy: -29.082
where: short stacking energy: -29.082
Base-Backbone interact. energy: -1.179
local terms energy: -52.650439
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -15.355
flat angles P-C4'-P energy: -6.678
tors. eta vs tors. theta energy: -3.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -234.744027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.744027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.744027 (E_RNA)
where:
Base-Base interactions energy: -158.670
where: short stacking energy: -81.455
Base-Backbone interact. energy: -0.016
local terms energy: -76.058032
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -17.513
flat angles P-C4'-P energy: -10.183
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: 2, replica: 1
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -223.266482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.266482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.266482 (E_RNA)
where:
Base-Base interactions energy: -143.470
where: short stacking energy: -66.634
Base-Backbone interact. energy: -0.002
local terms energy: -79.794560
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -12.832
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: 7
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -203.896521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.896521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.896521 (E_RNA)
where:
Base-Base interactions energy: -130.971
where: short stacking energy: -66.925
Base-Backbone interact. energy: -0.253
local terms energy: -72.672268
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -6.508
tors. eta vs tors. theta energy: -21.050
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: 5
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -215.115411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.115411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.115411 (E_RNA)
where:
Base-Base interactions energy: -142.286
where: short stacking energy: -74.923
Base-Backbone interact. energy: -0.087
local terms energy: -72.742879
where:
bonds (distance) C4'-P energy: -8.212
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -13.827
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: 5, replica: 2
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -183.185519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.185519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.185519 (E_RNA)
where:
Base-Base interactions energy: -115.272
where: short stacking energy: -54.488
Base-Backbone interact. energy: -0.095
local terms energy: -67.818103
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -9.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -184.341006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.341006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.341006 (E_RNA)
where:
Base-Base interactions energy: -114.375
where: short stacking energy: -59.634
Base-Backbone interact. energy: -0.035
local terms energy: -69.930890
where:
bonds (distance) C4'-P energy: -12.444
bonds (distance) P-C4' energy: -13.372
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -13.350
tors. eta vs tors. theta energy: -16.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -85.176455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.176455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.176455 (E_RNA)
where:
Base-Base interactions energy: -29.773
where: short stacking energy: -28.420
Base-Backbone interact. energy: 0.119
local terms energy: -55.521925
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -11.081
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: -6.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -75.568225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.568225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.568225 (E_RNA)
where:
Base-Base interactions energy: -21.611
where: short stacking energy: -20.927
Base-Backbone interact. energy: 1.743
local terms energy: -55.699735
where:
bonds (distance) C4'-P energy: -17.034
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -1.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -88.238431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.238431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.238431 (E_RNA)
where:
Base-Base interactions energy: -40.495
where: short stacking energy: -25.195
Base-Backbone interact. energy: -1.463
local terms energy: -46.280528
where:
bonds (distance) C4'-P energy: -12.837
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -10.594
flat angles P-C4'-P energy: -4.102
tors. eta vs tors. theta energy: -4.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -80.590571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.590571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.590571 (E_RNA)
where:
Base-Base interactions energy: -38.713
where: short stacking energy: -28.139
Base-Backbone interact. energy: -0.169
local terms energy: -41.709163
where:
bonds (distance) C4'-P energy: -10.184
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -4.283
tors. eta vs tors. theta energy: 2.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -234.778564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.778564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.778564 (E_RNA)
where:
Base-Base interactions energy: -158.764
where: short stacking energy: -80.825
Base-Backbone interact. energy: 1.008
local terms energy: -77.023001
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -16.659
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -13.451
tors. eta vs tors. theta energy: -18.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -217.741552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.741552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.741552 (E_RNA)
where:
Base-Base interactions energy: -143.129
where: short stacking energy: -68.101
Base-Backbone interact. energy: -0.004
local terms energy: -74.608333
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -12.130
tors. eta vs tors. theta energy: -19.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -194.637178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.637178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.637178 (E_RNA)
where:
Base-Base interactions energy: -122.513
where: short stacking energy: -62.587
Base-Backbone interact. energy: -1.036
local terms energy: -71.087933
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -13.247
flat angles P-C4'-P energy: -7.800
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: 4, replica: 5
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -194.631233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.631233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.631233 (E_RNA)
where:
Base-Base interactions energy: -122.966
where: short stacking energy: -61.575
Base-Backbone interact. energy: -0.007
local terms energy: -71.658216
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -16.698
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -11.331
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: 5, replica: 2
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -183.552800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.552800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.552800 (E_RNA)
where:
Base-Base interactions energy: -115.363
where: short stacking energy: -55.698
Base-Backbone interact. energy: -0.002
local terms energy: -68.186986
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -13.849
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: 3
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -187.500536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.500536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.500536 (E_RNA)
where:
Base-Base interactions energy: -130.289
where: short stacking energy: -60.837
Base-Backbone interact. energy: 0.927
local terms energy: -58.137917
where:
bonds (distance) C4'-P energy: -9.308
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -13.300
flat angles P-C4'-P energy: -7.648
tors. eta vs tors. theta energy: -14.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -104.482201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.482201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.482201 (E_RNA)
where:
Base-Base interactions energy: -53.209
where: short stacking energy: -31.739
Base-Backbone interact. energy: -0.127
local terms energy: -51.145823
where:
bonds (distance) C4'-P energy: -10.918
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -12.645
flat angles P-C4'-P energy: -9.636
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: 8, replica: 10
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -92.674593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.674593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.674593 (E_RNA)
where:
Base-Base interactions energy: -40.386
where: short stacking energy: -25.911
Base-Backbone interact. energy: -0.199
local terms energy: -52.089567
where:
bonds (distance) C4'-P energy: -7.006
bonds (distance) P-C4' energy: -16.619
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -7.911
tors. eta vs tors. theta energy: -5.835
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: 9
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -81.964811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.964811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.964811 (E_RNA)
where:
Base-Base interactions energy: -29.689
where: short stacking energy: -29.689
Base-Backbone interact. energy: -0.141
local terms energy: -52.134004
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -13.791
flat angles C4'-P-C4' energy: -8.941
flat angles P-C4'-P energy: -11.951
tors. eta vs tors. theta energy: -3.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -73.690202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.690202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.690202 (E_RNA)
where:
Base-Base interactions energy: -25.618
where: short stacking energy: -25.618
Base-Backbone interact. energy: -0.139
local terms energy: -47.933012
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -12.429
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -9.668
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: 1
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -226.107789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.107789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.107789 (E_RNA)
where:
Base-Base interactions energy: -152.371
where: short stacking energy: -68.059
Base-Backbone interact. energy: -0.027
local terms energy: -73.709697
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -19.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -228.459892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.459892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.459892 (E_RNA)
where:
Base-Base interactions energy: -144.865
where: short stacking energy: -69.099
Base-Backbone interact. energy: -1.088
local terms energy: -82.507704
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -16.693
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -23.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -218.859060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.859060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.859060 (E_RNA)
where:
Base-Base interactions energy: -138.851
where: short stacking energy: -74.863
Base-Backbone interact. energy: -1.139
local terms energy: -78.869513
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: -22.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -197.687901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.687901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.687901 (E_RNA)
where:
Base-Base interactions energy: -129.586
where: short stacking energy: -58.084
Base-Backbone interact. energy: -0.068
local terms energy: -68.033949
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -15.263
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -16.092
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: 3
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -190.289643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.289643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.289643 (E_RNA)
where:
Base-Base interactions energy: -121.962
where: short stacking energy: -60.989
Base-Backbone interact. energy: 0.408
local terms energy: -68.735289
where:
bonds (distance) C4'-P energy: -9.513
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -17.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -168.831560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.831560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.831560 (E_RNA)
where:
Base-Base interactions energy: -106.837
where: short stacking energy: -53.046
Base-Backbone interact. energy: -0.020
local terms energy: -61.975040
where:
bonds (distance) C4'-P energy: -8.675
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -8.648
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: 7, replica: 10
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -87.971675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.971675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.971675 (E_RNA)
where:
Base-Base interactions energy: -29.493
where: short stacking energy: -29.493
Base-Backbone interact. energy: -0.095
local terms energy: -58.384201
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -4.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -141.238056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.238056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.238056 (E_RNA)
where:
Base-Base interactions energy: -87.509
where: short stacking energy: -48.843
Base-Backbone interact. energy: -0.660
local terms energy: -53.069470
where:
bonds (distance) C4'-P energy: -8.534
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -8.039
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -10.038
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: 6
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -86.732144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.732144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.732144 (E_RNA)
where:
Base-Base interactions energy: -37.402
where: short stacking energy: -28.334
Base-Backbone interact. energy: -0.169
local terms energy: -49.160683
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -11.205
flat angles C4'-P-C4' energy: -11.372
flat angles P-C4'-P energy: -8.618
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: 10, replica: 9
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -93.774995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.774995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.774995 (E_RNA)
where:
Base-Base interactions energy: -40.377
where: short stacking energy: -39.962
Base-Backbone interact. energy: -0.000
local terms energy: -53.397148
where:
bonds (distance) C4'-P energy: -14.540
bonds (distance) P-C4' energy: -14.672
flat angles C4'-P-C4' energy: -12.226
flat angles P-C4'-P energy: -1.478
tors. eta vs tors. theta energy: -10.481
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: 1
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -229.892243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.892243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.892243 (E_RNA)
where:
Base-Base interactions energy: -145.388
where: short stacking energy: -77.069
Base-Backbone interact. energy: -0.171
local terms energy: -84.333228
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -17.521
flat angles P-C4'-P energy: -12.203
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: 2, replica: 5
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -227.428887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.428887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.428887 (E_RNA)
where:
Base-Base interactions energy: -150.714
where: short stacking energy: -73.095
Base-Backbone interact. energy: -0.003
local terms energy: -76.711549
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -15.084
flat angles C4'-P-C4' energy: -16.652
flat angles P-C4'-P energy: -9.665
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: 4
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -217.700127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.700127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.700127 (E_RNA)
where:
Base-Base interactions energy: -143.136
where: short stacking energy: -70.933
Base-Backbone interact. energy: -0.022
local terms energy: -74.541908
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -15.810
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -22.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -201.002757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.002757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.002757 (E_RNA)
where:
Base-Base interactions energy: -134.322
where: short stacking energy: -62.223
Base-Backbone interact. energy: -0.153
local terms energy: -66.528675
where:
bonds (distance) C4'-P energy: -10.191
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -14.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -190.864080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.864080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.864080 (E_RNA)
where:
Base-Base interactions energy: -119.634
where: short stacking energy: -55.910
Base-Backbone interact. energy: -0.097
local terms energy: -71.133863
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -15.428
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -13.883
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: 6, replica: 2
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -176.716343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.716343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.716343 (E_RNA)
where:
Base-Base interactions energy: -111.530
where: short stacking energy: -47.452
Base-Backbone interact. energy: -0.247
local terms energy: -64.939129
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -16.447
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -12.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -83.644110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.644110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.644110 (E_RNA)
where:
Base-Base interactions energy: -31.316
where: short stacking energy: -30.489
Base-Backbone interact. energy: -1.541
local terms energy: -50.786421
where:
bonds (distance) C4'-P energy: -10.385
bonds (distance) P-C4' energy: -16.253
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: -3.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -84.227165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.227165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.227165 (E_RNA)
where:
Base-Base interactions energy: -33.696
where: short stacking energy: -33.696
Base-Backbone interact. energy: -0.132
local terms energy: -50.399676
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -10.593
flat angles P-C4'-P energy: -6.994
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: 9, replica: 8
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -84.983869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.983869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.983869 (E_RNA)
where:
Base-Base interactions energy: -25.766
where: short stacking energy: -22.032
Base-Backbone interact. energy: -0.146
local terms energy: -59.071371
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -12.784
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: 10, replica: 9
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -78.622058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.622058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.622058 (E_RNA)
where:
Base-Base interactions energy: -34.062
where: short stacking energy: -30.353
Base-Backbone interact. energy: -0.061
local terms energy: -44.499173
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -10.344
flat angles P-C4'-P energy: -4.966
tors. eta vs tors. theta energy: -1.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -224.798973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.798973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.798973 (E_RNA)
where:
Base-Base interactions energy: -154.708
where: short stacking energy: -57.349
Base-Backbone interact. energy: -0.065
local terms energy: -70.025215
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -14.284
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -7.183
tors. eta vs tors. theta energy: -17.896
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: 1
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -222.211282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.211282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.211282 (E_RNA)
where:
Base-Base interactions energy: -142.351
where: short stacking energy: -76.229
Base-Backbone interact. energy: -0.007
local terms energy: -79.853029
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -17.504
flat angles P-C4'-P energy: -11.699
tors. eta vs tors. theta energy: -19.722
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: 4
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -211.573238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.573238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.573238 (E_RNA)
where:
Base-Base interactions energy: -143.541
where: short stacking energy: -66.172
Base-Backbone interact. energy: -0.001
local terms energy: -68.031541
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -11.477
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -8.911
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: 4, replica: 3
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -194.661766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.661766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.661766 (E_RNA)
where:
Base-Base interactions energy: -127.082
where: short stacking energy: -59.698
Base-Backbone interact. energy: -0.634
local terms energy: -66.946580
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -9.780
flat angles C4'-P-C4' energy: -14.329
flat angles P-C4'-P energy: -10.734
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: 2
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -184.047561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.047561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.047561 (E_RNA)
where:
Base-Base interactions energy: -118.959
where: short stacking energy: -60.419
Base-Backbone interact. energy: -0.097
local terms energy: -64.991563
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -11.212
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: -14.322
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: 466
Temperature: 1.150000
Total energy: -189.911416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.911416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.911416 (E_RNA)
where:
Base-Base interactions energy: -119.834
where: short stacking energy: -61.025
Base-Backbone interact. energy: -0.031
local terms energy: -70.046399
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -9.660
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -11.397
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: 7, replica: 6
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -86.031748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.031748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.031748 (E_RNA)
where:
Base-Base interactions energy: -38.649
where: short stacking energy: -38.649
Base-Backbone interact. energy: -0.073
local terms energy: -47.309575
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -9.867
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -6.007
tors. eta vs tors. theta energy: -3.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -85.046065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.046065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.046065 (E_RNA)
where:
Base-Base interactions energy: -34.460
where: short stacking energy: -32.977
Base-Backbone interact. energy: -0.070
local terms energy: -50.516357
where:
bonds (distance) C4'-P energy: -8.124
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -12.364
flat angles P-C4'-P energy: -6.035
tors. eta vs tors. theta energy: -7.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -83.310014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.310014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.310014 (E_RNA)
where:
Base-Base interactions energy: -35.296
where: short stacking energy: -35.296
Base-Backbone interact. energy: -0.083
local terms energy: -47.931094
where:
bonds (distance) C4'-P energy: -11.101
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -11.764
flat angles P-C4'-P energy: -6.406
tors. eta vs tors. theta energy: -1.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -70.380684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.380684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.380684 (E_RNA)
where:
Base-Base interactions energy: -25.164
where: short stacking energy: -24.535
Base-Backbone interact. energy: -0.064
local terms energy: -45.152082
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -10.206
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -1.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -232.135071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.135071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.135071 (E_RNA)
where:
Base-Base interactions energy: -155.732
where: short stacking energy: -74.290
Base-Backbone interact. energy: -0.612
local terms energy: -75.790971
where:
bonds (distance) C4'-P energy: -16.037
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -10.350
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: 2, replica: 4
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -215.494773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.494773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.494773 (E_RNA)
where:
Base-Base interactions energy: -139.867
where: short stacking energy: -77.578
Base-Backbone interact. energy: -0.000
local terms energy: -75.627538
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -12.774
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -21.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -216.105002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.105002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.105002 (E_RNA)
where:
Base-Base interactions energy: -135.815
where: short stacking energy: -77.466
Base-Backbone interact. energy: 0.740
local terms energy: -81.029577
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -9.820
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: 4, replica: 3
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -185.267533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.267533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.267533 (E_RNA)
where:
Base-Base interactions energy: -122.414
where: short stacking energy: -63.354
Base-Backbone interact. energy: -0.107
local terms energy: -62.746095
where:
bonds (distance) C4'-P energy: -10.258
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -12.139
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -15.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -180.924753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.924753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.924753 (E_RNA)
where:
Base-Base interactions energy: -115.157
where: short stacking energy: -58.130
Base-Backbone interact. energy: -0.012
local terms energy: -65.755940
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -7.573
tors. eta vs tors. theta energy: -14.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -187.579302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.579302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.579302 (E_RNA)
where:
Base-Base interactions energy: -120.594
where: short stacking energy: -58.310
Base-Backbone interact. energy: -0.768
local terms energy: -66.216509
where:
bonds (distance) C4'-P energy: -15.395
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -4.934
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: 6
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -94.962783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.962783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.962783 (E_RNA)
where:
Base-Base interactions energy: -47.712
where: short stacking energy: -47.712
Base-Backbone interact. energy: -0.147
local terms energy: -47.103607
where:
bonds (distance) C4'-P energy: -12.261
bonds (distance) P-C4' energy: -13.086
flat angles C4'-P-C4' energy: -4.720
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: -7.248
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: 9
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -102.507022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.507022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.507022 (E_RNA)
where:
Base-Base interactions energy: -44.869
where: short stacking energy: -40.212
Base-Backbone interact. energy: -0.164
local terms energy: -57.473505
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -11.869
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -7.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -84.311663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.311663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.311663 (E_RNA)
where:
Base-Base interactions energy: -39.525
where: short stacking energy: -16.891
Base-Backbone interact. energy: -0.168
local terms energy: -44.618843
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -16.243
flat angles C4'-P-C4' energy: -4.594
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -0.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -71.950464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.950464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.950464 (E_RNA)
where:
Base-Base interactions energy: -27.101
where: short stacking energy: -20.695
Base-Backbone interact. energy: -0.003
local terms energy: -44.845855
where:
bonds (distance) C4'-P energy: -7.464
bonds (distance) P-C4' energy: -14.007
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -6.172
tors. eta vs tors. theta energy: -1.170
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: 4
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -225.808561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.808561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.808561 (E_RNA)
where:
Base-Base interactions energy: -149.971
where: short stacking energy: -75.573
Base-Backbone interact. energy: -1.278
local terms energy: -74.559205
where:
bonds (distance) C4'-P energy: -10.402
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -11.764
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: 5
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -230.509131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.509131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.509131 (E_RNA)
where:
Base-Base interactions energy: -150.505
where: short stacking energy: -74.044
Base-Backbone interact. energy: -0.001
local terms energy: -80.002738
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -13.824
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: 1
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -223.062864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.062864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.062864 (E_RNA)
where:
Base-Base interactions energy: -146.662
where: short stacking energy: -79.507
Base-Backbone interact. energy: -0.002
local terms energy: -76.398312
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -20.946
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: 3
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -189.568854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.568854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.568854 (E_RNA)
where:
Base-Base interactions energy: -119.355
where: short stacking energy: -60.688
Base-Backbone interact. energy: -0.059
local terms energy: -70.154995
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -8.312
tors. eta vs tors. theta energy: -15.046
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: 468
Temperature: 1.100000
Total energy: -182.876558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.876558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.876558 (E_RNA)
where:
Base-Base interactions energy: -118.126
where: short stacking energy: -59.139
Base-Backbone interact. energy: 0.012
local terms energy: -64.762966
where:
bonds (distance) C4'-P energy: -10.376
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -7.336
tors. eta vs tors. theta energy: -16.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -175.612353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.612353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.612353 (E_RNA)
where:
Base-Base interactions energy: -115.709
where: short stacking energy: -51.877
Base-Backbone interact. energy: -0.011
local terms energy: -59.892438
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -8.830
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -10.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -83.916859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.916859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.916859 (E_RNA)
where:
Base-Base interactions energy: -37.654
where: short stacking energy: -30.864
Base-Backbone interact. energy: -0.160
local terms energy: -46.103013
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -10.476
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -6.019
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: 8, replica: 6
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -84.118313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.118313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.118313 (E_RNA)
where:
Base-Base interactions energy: -37.755
where: short stacking energy: -25.277
Base-Backbone interact. energy: -0.240
local terms energy: -46.123708
where:
bonds (distance) C4'-P energy: -10.521
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -11.432
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: 0.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -82.697566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.697566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.697566 (E_RNA)
where:
Base-Base interactions energy: -34.516
where: short stacking energy: -27.524
Base-Backbone interact. energy: -0.163
local terms energy: -48.018416
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -14.284
flat angles C4'-P-C4' energy: -7.271
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -3.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -67.528191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.528191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.528191 (E_RNA)
where:
Base-Base interactions energy: -24.998
where: short stacking energy: -12.286
Base-Backbone interact. energy: -0.135
local terms energy: -42.395584
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -12.591
flat angles C4'-P-C4' energy: -9.820
flat angles P-C4'-P energy: -6.466
tors. eta vs tors. theta energy: 1.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -226.014817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.014817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.014817 (E_RNA)
where:
Base-Base interactions energy: -149.759
where: short stacking energy: -67.359
Base-Backbone interact. energy: -0.044
local terms energy: -76.211825
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -12.275
flat angles C4'-P-C4' energy: -16.646
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: -21.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -223.529399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.529399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.529399 (E_RNA)
where:
Base-Base interactions energy: -146.461
where: short stacking energy: -71.330
Base-Backbone interact. energy: -0.012
local terms energy: -77.056343
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -16.310
flat angles C4'-P-C4' energy: -16.271
flat angles P-C4'-P energy: -8.789
tors. eta vs tors. theta energy: -21.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -227.090340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.090340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.090340 (E_RNA)
where:
Base-Base interactions energy: -152.169
where: short stacking energy: -70.540
Base-Backbone interact. energy: -0.020
local terms energy: -74.900912
where:
bonds (distance) C4'-P energy: -10.278
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -23.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -186.944250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.944250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.944250 (E_RNA)
where:
Base-Base interactions energy: -122.916
where: short stacking energy: -50.889
Base-Backbone interact. energy: -1.169
local terms energy: -62.859731
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -12.847
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -8.465
tors. eta vs tors. theta energy: -13.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -180.217488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.217488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.217488 (E_RNA)
where:
Base-Base interactions energy: -111.492
where: short stacking energy: -53.012
Base-Backbone interact. energy: -0.014
local terms energy: -68.710815
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -11.447
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -17.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -172.479097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.479097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.479097 (E_RNA)
where:
Base-Base interactions energy: -120.452
where: short stacking energy: -57.544
Base-Backbone interact. energy: -0.118
local terms energy: -51.909861
where:
bonds (distance) C4'-P energy: -7.566
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -9.819
flat angles P-C4'-P energy: -7.721
tors. eta vs tors. theta energy: -12.297
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: 9
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -97.238502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.238502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.238502 (E_RNA)
where:
Base-Base interactions energy: -48.162
where: short stacking energy: -27.260
Base-Backbone interact. energy: -0.857
local terms energy: -48.219165
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -13.552
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -4.769
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: 8, replica: 10
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -104.342636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.342636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.342636 (E_RNA)
where:
Base-Base interactions energy: -53.925
where: short stacking energy: -37.060
Base-Backbone interact. energy: 0.009
local terms energy: -50.426106
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -9.714
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -4.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -74.787761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.787761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.787761 (E_RNA)
where:
Base-Base interactions energy: -22.051
where: short stacking energy: -17.837
Base-Backbone interact. energy: -0.425
local terms energy: -52.311632
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -2.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -119.624293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.624293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.624293 (E_RNA)
where:
Base-Base interactions energy: -67.447
where: short stacking energy: -28.923
Base-Backbone interact. energy: -0.141
local terms energy: -52.036329
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -8.589
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -5.128
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: 5
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -229.395600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.395600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.395600 (E_RNA)
where:
Base-Base interactions energy: -150.331
where: short stacking energy: -71.143
Base-Backbone interact. energy: -0.414
local terms energy: -78.650481
where:
bonds (distance) C4'-P energy: -16.479
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -18.543
flat angles P-C4'-P energy: -9.397
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: 2, replica: 4
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -228.057561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.057561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.057561 (E_RNA)
where:
Base-Base interactions energy: -150.505
where: short stacking energy: -69.753
Base-Backbone interact. energy: -0.563
local terms energy: -76.990141
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -10.275
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: 3, replica: 3
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -208.882124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.882124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.882124 (E_RNA)
where:
Base-Base interactions energy: -136.144
where: short stacking energy: -72.109
Base-Backbone interact. energy: -0.010
local terms energy: -72.728722
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -13.058
flat angles C4'-P-C4' energy: -13.336
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -18.615
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: 4, replica: 1
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -217.977754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.977754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.977754 (E_RNA)
where:
Base-Base interactions energy: -145.557
where: short stacking energy: -72.358
Base-Backbone interact. energy: 1.400
local terms energy: -73.820738
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -11.889
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -21.515
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: 2
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -187.912118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.912118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.912118 (E_RNA)
where:
Base-Base interactions energy: -124.796
where: short stacking energy: -62.927
Base-Backbone interact. energy: -0.009
local terms energy: -63.106905
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -10.755
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -8.601
tors. eta vs tors. theta energy: -15.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -172.826514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.826514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.826514 (E_RNA)
where:
Base-Base interactions energy: -112.398
where: short stacking energy: -48.238
Base-Backbone interact. energy: -0.015
local terms energy: -60.413044
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -11.741
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -11.626
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: 7, replica: 10
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -104.845577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.845577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.845577 (E_RNA)
where:
Base-Base interactions energy: -44.474
where: short stacking energy: -44.474
Base-Backbone interact. energy: -0.050
local terms energy: -60.321882
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -8.117
tors. eta vs tors. theta energy: -5.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -110.210326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.210326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.210326 (E_RNA)
where:
Base-Base interactions energy: -57.694
where: short stacking energy: -25.624
Base-Backbone interact. energy: -0.231
local terms energy: -52.285024
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -17.074
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -0.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -75.369957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.369957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.369957 (E_RNA)
where:
Base-Base interactions energy: -46.107
where: short stacking energy: -14.193
Base-Backbone interact. energy: -0.317
local terms energy: -28.946160
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -9.795
flat angles C4'-P-C4' energy: -11.791
flat angles P-C4'-P energy: -2.044
tors. eta vs tors. theta energy: 8.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -88.327833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.327833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.327833 (E_RNA)
where:
Base-Base interactions energy: -40.695
where: short stacking energy: -28.510
Base-Backbone interact. energy: 0.289
local terms energy: -47.921932
where:
bonds (distance) C4'-P energy: -12.491
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -10.565
flat angles P-C4'-P energy: -7.481
tors. eta vs tors. theta energy: -4.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -225.300236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.300236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.300236 (E_RNA)
where:
Base-Base interactions energy: -146.199
where: short stacking energy: -67.395
Base-Backbone interact. energy: -0.044
local terms energy: -79.057669
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -17.337
flat angles P-C4'-P energy: -14.009
tors. eta vs tors. theta energy: -18.703
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: 4
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -224.774197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.774197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.774197 (E_RNA)
where:
Base-Base interactions energy: -150.712
where: short stacking energy: -71.122
Base-Backbone interact. energy: -0.027
local terms energy: -74.035459
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -17.795
flat angles P-C4'-P energy: -7.527
tors. eta vs tors. theta energy: -19.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -189.820225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.820225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.820225 (E_RNA)
where:
Base-Base interactions energy: -125.666
where: short stacking energy: -55.923
Base-Backbone interact. energy: -0.164
local terms energy: -63.990970
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -10.514
flat angles C4'-P-C4' energy: -16.827
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -13.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -188.289956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.289956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.289956 (E_RNA)
where:
Base-Base interactions energy: -126.016
where: short stacking energy: -54.658
Base-Backbone interact. energy: 0.633
local terms energy: -62.907374
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -14.474
flat angles P-C4'-P energy: -7.082
tors. eta vs tors. theta energy: -10.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -210.694849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.694849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.694849 (E_RNA)
where:
Base-Base interactions energy: -137.074
where: short stacking energy: -68.158
Base-Backbone interact. energy: -0.002
local terms energy: -73.618806
where:
bonds (distance) C4'-P energy: -12.058
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -19.837
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: 7
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -178.769079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.769079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.769079 (E_RNA)
where:
Base-Base interactions energy: -120.170
where: short stacking energy: -52.471
Base-Backbone interact. energy: 0.927
local terms energy: -59.526023
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -10.202
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -9.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -98.018061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.018061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.018061 (E_RNA)
where:
Base-Base interactions energy: -55.849
where: short stacking energy: -27.151
Base-Backbone interact. energy: 1.298
local terms energy: -43.467682
where:
bonds (distance) C4'-P energy: -10.878
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -11.141
flat angles P-C4'-P energy: -8.430
tors. eta vs tors. theta energy: 1.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -116.664785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.664785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.664785 (E_RNA)
where:
Base-Base interactions energy: -64.084
where: short stacking energy: -27.877
Base-Backbone interact. energy: -0.494
local terms energy: -52.087061
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -11.981
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -8.263
tors. eta vs tors. theta energy: -3.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -115.650538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.650538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.650538 (E_RNA)
where:
Base-Base interactions energy: -72.513
where: short stacking energy: -29.417
Base-Backbone interact. energy: -0.826
local terms energy: -42.311406
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -8.862
flat angles C4'-P-C4' energy: -10.683
flat angles P-C4'-P energy: -2.197
tors. eta vs tors. theta energy: -8.364
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: 6
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -88.464611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.464611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.464611 (E_RNA)
where:
Base-Base interactions energy: -34.887
where: short stacking energy: -34.821
Base-Backbone interact. energy: -0.140
local terms energy: -53.437344
where:
bonds (distance) C4'-P energy: -12.102
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -9.504
tors. eta vs tors. theta energy: -1.765
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: 1, replica: 5
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -234.890455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.890455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.890455 (E_RNA)
where:
Base-Base interactions energy: -153.649
where: short stacking energy: -70.982
Base-Backbone interact. energy: -0.722
local terms energy: -80.519657
where:
bonds (distance) C4'-P energy: -18.031
bonds (distance) P-C4' energy: -13.334
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -13.237
tors. eta vs tors. theta energy: -20.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -224.501781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.501781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.501781 (E_RNA)
where:
Base-Base interactions energy: -149.006
where: short stacking energy: -62.156
Base-Backbone interact. energy: -0.104
local terms energy: -75.391312
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -16.735
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -7.135
tors. eta vs tors. theta energy: -20.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -194.292364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.292364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.292364 (E_RNA)
where:
Base-Base interactions energy: -122.262
where: short stacking energy: -52.987
Base-Backbone interact. energy: -0.112
local terms energy: -71.917825
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -16.834
flat angles C4'-P-C4' energy: -16.219
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: -14.647
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: 3
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -185.116954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.116954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.116954 (E_RNA)
where:
Base-Base interactions energy: -117.825
where: short stacking energy: -54.883
Base-Backbone interact. energy: -0.427
local terms energy: -66.864282
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -14.979
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -10.528
tors. eta vs tors. theta energy: -11.666
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: 5, replica: 7
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -185.275236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.275236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.275236 (E_RNA)
where:
Base-Base interactions energy: -119.920
where: short stacking energy: -40.658
Base-Backbone interact. energy: -0.717
local terms energy: -64.637927
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -13.355
flat angles C4'-P-C4' energy: -9.643
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -14.407
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: 1
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -204.175970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.175970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.175970 (E_RNA)
where:
Base-Base interactions energy: -133.192
where: short stacking energy: -61.062
Base-Backbone interact. energy: 0.151
local terms energy: -71.134591
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -6.747
tors. eta vs tors. theta energy: -21.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -132.714012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.714012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.714012 (E_RNA)
where:
Base-Base interactions energy: -74.024
where: short stacking energy: -31.776
Base-Backbone interact. energy: -0.337
local terms energy: -58.353071
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -11.911
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -9.775
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: 8, replica: 10
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -80.918653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.918653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.918653 (E_RNA)
where:
Base-Base interactions energy: -38.101
where: short stacking energy: -32.286
Base-Backbone interact. energy: -0.071
local terms energy: -42.746505
where:
bonds (distance) C4'-P energy: -9.148
bonds (distance) P-C4' energy: -11.177
flat angles C4'-P-C4' energy: -8.187
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: -2.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -87.915781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.915781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.915781 (E_RNA)
where:
Base-Base interactions energy: -41.666
where: short stacking energy: -26.978
Base-Backbone interact. energy: -0.948
local terms energy: -45.302362
where:
bonds (distance) C4'-P energy: -12.901
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -11.214
flat angles P-C4'-P energy: -2.663
tors. eta vs tors. theta energy: -4.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -117.345269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.345269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.345269 (E_RNA)
where:
Base-Base interactions energy: -65.622
where: short stacking energy: -33.309
Base-Backbone interact. energy: -0.177
local terms energy: -51.545975
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: -3.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -233.086484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.086484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.086484 (E_RNA)
where:
Base-Base interactions energy: -157.477
where: short stacking energy: -81.469
Base-Backbone interact. energy: -0.045
local terms energy: -75.564307
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -13.601
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -10.848
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: 2, replica: 4
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -223.578200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.578200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.578200 (E_RNA)
where:
Base-Base interactions energy: -146.025
where: short stacking energy: -65.950
Base-Backbone interact. energy: -0.006
local terms energy: -77.547580
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -14.095
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -23.200
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: 2
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -200.348706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.348706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.348706 (E_RNA)
where:
Base-Base interactions energy: -123.629
where: short stacking energy: -61.445
Base-Backbone interact. energy: -0.005
local terms energy: -76.715269
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -17.221
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -17.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -184.030927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.030927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.030927 (E_RNA)
where:
Base-Base interactions energy: -122.880
where: short stacking energy: -45.889
Base-Backbone interact. energy: -1.544
local terms energy: -59.606933
where:
bonds (distance) C4'-P energy: -11.412
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -13.405
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -6.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -176.957519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.957519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.957519 (E_RNA)
where:
Base-Base interactions energy: -117.234
where: short stacking energy: -50.349
Base-Backbone interact. energy: -0.007
local terms energy: -59.715902
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -10.447
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -7.804
tors. eta vs tors. theta energy: -13.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -194.106114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.106114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.106114 (E_RNA)
where:
Base-Base interactions energy: -129.067
where: short stacking energy: -59.161
Base-Backbone interact. energy: 3.643
local terms energy: -68.681437
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -13.022
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -12.496
tors. eta vs tors. theta energy: -18.493
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: 9
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -160.696817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.696817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.696817 (E_RNA)
where:
Base-Base interactions energy: -105.221
where: short stacking energy: -43.231
Base-Backbone interact. energy: -0.042
local terms energy: -55.433517
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -10.217
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -5.114
tors. eta vs tors. theta energy: -11.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -78.909485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.909485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.909485 (E_RNA)
where:
Base-Base interactions energy: -32.260
where: short stacking energy: -32.260
Base-Backbone interact. energy: -0.722
local terms energy: -45.927762
where:
bonds (distance) C4'-P energy: -11.282
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -11.147
flat angles P-C4'-P energy: -6.943
tors. eta vs tors. theta energy: -0.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -82.891395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.891395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.891395 (E_RNA)
where:
Base-Base interactions energy: -31.335
where: short stacking energy: -29.574
Base-Backbone interact. energy: 0.391
local terms energy: -51.947387
where:
bonds (distance) C4'-P energy: -11.130
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -14.132
flat angles P-C4'-P energy: -4.002
tors. eta vs tors. theta energy: -5.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -132.541527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.541527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.541527 (E_RNA)
where:
Base-Base interactions energy: -74.888
where: short stacking energy: -34.807
Base-Backbone interact. energy: -0.149
local terms energy: -57.503687
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -11.192
flat angles P-C4'-P energy: -12.633
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: 1, replica: 4
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -228.152649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.152649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.152649 (E_RNA)
where:
Base-Base interactions energy: -146.534
where: short stacking energy: -69.002
Base-Backbone interact. energy: -0.031
local terms energy: -81.588226
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -22.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -224.180835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.180835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.180835 (E_RNA)
where:
Base-Base interactions energy: -145.183
where: short stacking energy: -73.778
Base-Backbone interact. energy: -0.002
local terms energy: -78.996396
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -21.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -205.175257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.175257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.175257 (E_RNA)
where:
Base-Base interactions energy: -131.745
where: short stacking energy: -50.331
Base-Backbone interact. energy: -0.024
local terms energy: -73.406645
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: -17.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -203.002153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.002153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.002153 (E_RNA)
where:
Base-Base interactions energy: -133.451
where: short stacking energy: -63.799
Base-Backbone interact. energy: -0.670
local terms energy: -68.880817
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -11.681
flat angles P-C4'-P energy: -8.839
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: 5, replica: 1
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -196.617331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.617331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.617331 (E_RNA)
where:
Base-Base interactions energy: -131.729
where: short stacking energy: -62.663
Base-Backbone interact. energy: -0.418
local terms energy: -64.470696
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -9.689
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: 6, replica: 3
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -183.550796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.550796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.550796 (E_RNA)
where:
Base-Base interactions energy: -115.159
where: short stacking energy: -45.883
Base-Backbone interact. energy: -0.234
local terms energy: -68.157785
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -11.977
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -14.782
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: 9
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -170.800680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.800680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.800680 (E_RNA)
where:
Base-Base interactions energy: -114.065
where: short stacking energy: -51.177
Base-Backbone interact. energy: -0.066
local terms energy: -56.668964
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -8.200
flat angles P-C4'-P energy: -7.440
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: 8, replica: 6
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -88.887573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.887573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.887573 (E_RNA)
where:
Base-Base interactions energy: -47.182
where: short stacking energy: -31.338
Base-Backbone interact. energy: -0.310
local terms energy: -41.396090
where:
bonds (distance) C4'-P energy: -10.175
bonds (distance) P-C4' energy: -11.479
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -2.933
tors. eta vs tors. theta energy: -2.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -78.682874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.682874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.682874 (E_RNA)
where:
Base-Base interactions energy: -30.678
where: short stacking energy: -13.877
Base-Backbone interact. energy: -0.609
local terms energy: -47.395857
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -9.852
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: 4.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -67.704007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.704007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.704007 (E_RNA)
where:
Base-Base interactions energy: -20.856
where: short stacking energy: -20.856
Base-Backbone interact. energy: -0.073
local terms energy: -46.775590
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -6.374
tors. eta vs tors. theta energy: 1.811
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: 1, replica: 4
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -231.983131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.983131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.983131 (E_RNA)
where:
Base-Base interactions energy: -153.339
where: short stacking energy: -74.039
Base-Backbone interact. energy: -0.081
local terms energy: -78.563122
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -18.465
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -20.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -231.621669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.621669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.621669 (E_RNA)
where:
Base-Base interactions energy: -152.515
where: short stacking energy: -69.358
Base-Backbone interact. energy: -0.004
local terms energy: -79.103297
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -17.295
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -21.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -195.197534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.197534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.197534 (E_RNA)
where:
Base-Base interactions energy: -123.017
where: short stacking energy: -52.771
Base-Backbone interact. energy: -0.209
local terms energy: -71.971903
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -15.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -219.013711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.013711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.013711 (E_RNA)
where:
Base-Base interactions energy: -143.976
where: short stacking energy: -74.078
Base-Backbone interact. energy: -0.239
local terms energy: -74.798449
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -22.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -185.039386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.039386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.039386 (E_RNA)
where:
Base-Base interactions energy: -112.353
where: short stacking energy: -57.925
Base-Backbone interact. energy: -0.021
local terms energy: -72.664879
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -18.698
flat angles C4'-P-C4' energy: -12.028
flat angles P-C4'-P energy: -10.896
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: 6, replica: 9
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -164.531999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.531999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.531999 (E_RNA)
where:
Base-Base interactions energy: -108.246
where: short stacking energy: -45.036
Base-Backbone interact. energy: -0.613
local terms energy: -55.672791
where:
bonds (distance) C4'-P energy: -13.537
bonds (distance) P-C4' energy: -13.193
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -2.648
tors. eta vs tors. theta energy: -11.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -170.850886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.850886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.850886 (E_RNA)
where:
Base-Base interactions energy: -116.363
where: short stacking energy: -60.728
Base-Backbone interact. energy: -0.106
local terms energy: -54.381950
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -7.761
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -5.062
tors. eta vs tors. theta energy: -13.086
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: 8
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -93.502577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.502577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.502577 (E_RNA)
where:
Base-Base interactions energy: -41.290
where: short stacking energy: -35.744
Base-Backbone interact. energy: -1.559
local terms energy: -50.653712
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -10.633
flat angles P-C4'-P energy: -9.077
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: 6
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -88.495624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.495624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.495624 (E_RNA)
where:
Base-Base interactions energy: -41.010
where: short stacking energy: -30.589
Base-Backbone interact. energy: -0.550
local terms energy: -46.935210
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -8.651
flat angles P-C4'-P energy: -6.324
tors. eta vs tors. theta energy: -2.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -103.564396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.564396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.564396 (E_RNA)
where:
Base-Base interactions energy: -53.190
where: short stacking energy: -25.035
Base-Backbone interact. energy: -0.137
local terms energy: -50.238162
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -7.836
tors. eta vs tors. theta energy: -2.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -232.992583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.992583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.992583 (E_RNA)
where:
Base-Base interactions energy: -155.653
where: short stacking energy: -75.222
Base-Backbone interact. energy: -0.004
local terms energy: -77.335615
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -20.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -231.591069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.591069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.591069 (E_RNA)
where:
Base-Base interactions energy: -156.592
where: short stacking energy: -79.732
Base-Backbone interact. energy: -0.021
local terms energy: -74.977861
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -15.419
flat angles C4'-P-C4' energy: -11.396
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -23.435
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: 1
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -216.354117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.354117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.354117 (E_RNA)
where:
Base-Base interactions energy: -144.607
where: short stacking energy: -66.213
Base-Backbone interact. energy: -0.002
local terms energy: -71.744542
where:
bonds (distance) C4'-P energy: -13.096
bonds (distance) P-C4' energy: -15.560
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -9.195
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: 4, replica: 7
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -191.264172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.264172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.264172 (E_RNA)
where:
Base-Base interactions energy: -126.481
where: short stacking energy: -65.666
Base-Backbone interact. energy: -0.001
local terms energy: -64.782348
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -5.283
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: 9
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -175.558271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.558271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.558271 (E_RNA)
where:
Base-Base interactions energy: -113.505
where: short stacking energy: -59.789
Base-Backbone interact. energy: -0.013
local terms energy: -62.041170
where:
bonds (distance) C4'-P energy: -11.531
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: -13.441
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: 2
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -181.738212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.738212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.738212 (E_RNA)
where:
Base-Base interactions energy: -113.813
where: short stacking energy: -53.508
Base-Backbone interact. energy: -0.107
local terms energy: -67.818243
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -16.181
flat angles P-C4'-P energy: -8.752
tors. eta vs tors. theta energy: -15.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -178.482531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.482531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.482531 (E_RNA)
where:
Base-Base interactions energy: -111.985
where: short stacking energy: -53.571
Base-Backbone interact. energy: -0.004
local terms energy: -66.493240
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -7.474
tors. eta vs tors. theta energy: -15.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -114.201507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.201507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.201507 (E_RNA)
where:
Base-Base interactions energy: -60.276
where: short stacking energy: -32.328
Base-Backbone interact. energy: -0.211
local terms energy: -53.714821
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -11.448
flat angles C4'-P-C4' energy: -16.509
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -6.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -170.115079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.115079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.115079 (E_RNA)
where:
Base-Base interactions energy: -106.467
where: short stacking energy: -48.050
Base-Backbone interact. energy: -1.667
local terms energy: -61.981501
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -11.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -78.048593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.048593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.048593 (E_RNA)
where:
Base-Base interactions energy: -28.799
where: short stacking energy: -30.199
Base-Backbone interact. energy: 0.361
local terms energy: -49.610487
where:
bonds (distance) C4'-P energy: -8.812
bonds (distance) P-C4' energy: -15.630
flat angles C4'-P-C4' energy: -10.880
flat angles P-C4'-P energy: -7.934
tors. eta vs tors. theta energy: -6.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -232.385238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.385238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.385238 (E_RNA)
where:
Base-Base interactions energy: -147.614
where: short stacking energy: -79.566
Base-Backbone interact. energy: -0.647
local terms energy: -84.124035
where:
bonds (distance) C4'-P energy: -17.795
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -16.704
flat angles P-C4'-P energy: -11.508
tors. eta vs tors. theta energy: -20.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -226.680355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.680355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.680355 (E_RNA)
where:
Base-Base interactions energy: -149.777
where: short stacking energy: -65.959
Base-Backbone interact. energy: -0.005
local terms energy: -76.897882
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -12.598
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: 1
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -195.169092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.169092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.169092 (E_RNA)
where:
Base-Base interactions energy: -124.052
where: short stacking energy: -58.310
Base-Backbone interact. energy: -0.038
local terms energy: -71.078477
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -17.589
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: 9
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -181.997168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.997168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.997168 (E_RNA)
where:
Base-Base interactions energy: -120.544
where: short stacking energy: -58.387
Base-Backbone interact. energy: -0.108
local terms energy: -61.345134
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -11.461
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -6.454
tors. eta vs tors. theta energy: -14.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -186.871575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.871575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.871575 (E_RNA)
where:
Base-Base interactions energy: -118.050
where: short stacking energy: -57.327
Base-Backbone interact. energy: -0.006
local terms energy: -68.815847
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -16.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -178.052347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.052347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.052347 (E_RNA)
where:
Base-Base interactions energy: -117.017
where: short stacking energy: -56.101
Base-Backbone interact. energy: 1.742
local terms energy: -62.777027
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -6.565
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: 7, replica: 2
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -164.313045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.313045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.313045 (E_RNA)
where:
Base-Base interactions energy: -113.734
where: short stacking energy: -46.275
Base-Backbone interact. energy: -0.127
local terms energy: -50.451293
where:
bonds (distance) C4'-P energy: -8.195
bonds (distance) P-C4' energy: -13.143
flat angles C4'-P-C4' energy: -18.223
flat angles P-C4'-P energy: -0.683
tors. eta vs tors. theta energy: -10.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -172.831787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.831787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.831787 (E_RNA)
where:
Base-Base interactions energy: -108.049
where: short stacking energy: -49.139
Base-Backbone interact. energy: -0.079
local terms energy: -64.703474
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -10.417
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -13.835
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: 477
Temperature: 1.300000
Total energy: -92.686778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.686778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.686778 (E_RNA)
where:
Base-Base interactions energy: -49.993
where: short stacking energy: -29.215
Base-Backbone interact. energy: 0.118
local terms energy: -42.811936
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -12.154
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -6.184
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: 10, replica: 6
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -81.729487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.729487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.729487 (E_RNA)
where:
Base-Base interactions energy: -33.268
where: short stacking energy: -30.573
Base-Backbone interact. energy: -0.338
local terms energy: -48.122637
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -9.473
flat angles P-C4'-P energy: -6.847
tors. eta vs tors. theta energy: -2.693
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: 4
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -232.400538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.400538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.400538 (E_RNA)
where:
Base-Base interactions energy: -156.088
where: short stacking energy: -74.349
Base-Backbone interact. energy: -0.033
local terms energy: -76.279710
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -15.046
flat angles C4'-P-C4' energy: -14.698
flat angles P-C4'-P energy: -12.898
tors. eta vs tors. theta energy: -21.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -220.826766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.826766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.826766 (E_RNA)
where:
Base-Base interactions energy: -148.527
where: short stacking energy: -69.591
Base-Backbone interact. energy: -0.004
local terms energy: -72.295482
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -12.336
flat angles C4'-P-C4' energy: -17.940
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -20.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -207.124123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.124123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.124123 (E_RNA)
where:
Base-Base interactions energy: -140.957
where: short stacking energy: -65.697
Base-Backbone interact. energy: -0.580
local terms energy: -65.587074
where:
bonds (distance) C4'-P energy: -10.397
bonds (distance) P-C4' energy: -15.066
flat angles C4'-P-C4' energy: -14.566
flat angles P-C4'-P energy: -6.843
tors. eta vs tors. theta energy: -18.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -187.277579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.277579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.277579 (E_RNA)
where:
Base-Base interactions energy: -123.503
where: short stacking energy: -53.646
Base-Backbone interact. energy: -0.133
local terms energy: -63.642166
where:
bonds (distance) C4'-P energy: -11.428
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -15.779
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -9.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -182.005648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.005648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.005648 (E_RNA)
where:
Base-Base interactions energy: -120.586
where: short stacking energy: -62.822
Base-Backbone interact. energy: -0.837
local terms energy: -60.582413
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -11.897
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -9.095
tors. eta vs tors. theta energy: -12.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -187.177179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.177179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.177179 (E_RNA)
where:
Base-Base interactions energy: -118.046
where: short stacking energy: -55.447
Base-Backbone interact. energy: -0.035
local terms energy: -69.096730
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -15.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -176.450743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.450743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.450743 (E_RNA)
where:
Base-Base interactions energy: -109.988
where: short stacking energy: -48.365
Base-Backbone interact. energy: -0.186
local terms energy: -66.276600
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -16.098
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -10.002
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: 8, replica: 2
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -85.137304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.137304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.137304 (E_RNA)
where:
Base-Base interactions energy: -30.384
where: short stacking energy: -25.004
Base-Backbone interact. energy: -0.959
local terms energy: -53.794850
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -7.943
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: 9, replica: 6
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -82.096139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.096139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.096139 (E_RNA)
where:
Base-Base interactions energy: -28.496
where: short stacking energy: -28.496
Base-Backbone interact. energy: -0.049
local terms energy: -53.550870
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -11.396
flat angles C4'-P-C4' energy: -12.661
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -6.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -76.663673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.663673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.663673 (E_RNA)
where:
Base-Base interactions energy: -30.946
where: short stacking energy: -26.594
Base-Backbone interact. energy: -0.072
local terms energy: -45.645661
where:
bonds (distance) C4'-P energy: -12.775
bonds (distance) P-C4' energy: -14.960
flat angles C4'-P-C4' energy: -8.147
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -0.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -233.468069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.468069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.468069 (E_RNA)
where:
Base-Base interactions energy: -148.760
where: short stacking energy: -71.293
Base-Backbone interact. energy: -0.003
local terms energy: -84.705751
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -18.613
flat angles P-C4'-P energy: -12.287
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: 2, replica: 1
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -218.079448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.079448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.079448 (E_RNA)
where:
Base-Base interactions energy: -138.596
where: short stacking energy: -64.261
Base-Backbone interact. energy: -0.584
local terms energy: -78.899346
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -18.365
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: 5
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -220.403792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.403792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.403792 (E_RNA)
where:
Base-Base interactions energy: -147.837
where: short stacking energy: -65.380
Base-Backbone interact. energy: -0.491
local terms energy: -72.075932
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -13.401
flat angles C4'-P-C4' energy: -15.402
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -20.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -189.168865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.168865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.168865 (E_RNA)
where:
Base-Base interactions energy: -116.054
where: short stacking energy: -59.091
Base-Backbone interact. energy: -0.016
local terms energy: -73.099195
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -17.462
flat angles C4'-P-C4' energy: -16.123
flat angles P-C4'-P energy: -11.868
tors. eta vs tors. theta energy: -14.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -183.997762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.997762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.997762 (E_RNA)
where:
Base-Base interactions energy: -120.492
where: short stacking energy: -42.885
Base-Backbone interact. energy: -0.065
local terms energy: -63.440991
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -16.771
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -8.636
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: 7
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -190.764072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.764072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.764072 (E_RNA)
where:
Base-Base interactions energy: -121.873
where: short stacking energy: -59.339
Base-Backbone interact. energy: -0.191
local terms energy: -68.700275
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -13.375
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -8.861
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: 10
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -160.062498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.062498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.062498 (E_RNA)
where:
Base-Base interactions energy: -99.653
where: short stacking energy: -55.012
Base-Backbone interact. energy: 0.141
local terms energy: -60.551041
where:
bonds (distance) C4'-P energy: -11.903
bonds (distance) P-C4' energy: -11.881
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -11.955
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: 6
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -90.253853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.253853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.253853 (E_RNA)
where:
Base-Base interactions energy: -41.524
where: short stacking energy: -37.611
Base-Backbone interact. energy: -0.070
local terms energy: -48.660067
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -12.015
flat angles C4'-P-C4' energy: -8.647
flat angles P-C4'-P energy: -7.593
tors. eta vs tors. theta energy: -7.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -89.277940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.277940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.277940 (E_RNA)
where:
Base-Base interactions energy: -35.527
where: short stacking energy: -35.527
Base-Backbone interact. energy: -0.127
local terms energy: -53.624314
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -3.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -85.228513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.228513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.228513 (E_RNA)
where:
Base-Base interactions energy: -31.222
where: short stacking energy: -31.222
Base-Backbone interact. energy: -0.094
local terms energy: -53.912259
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -8.544
tors. eta vs tors. theta energy: -2.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -227.490220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.490220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.490220 (E_RNA)
where:
Base-Base interactions energy: -144.022
where: short stacking energy: -69.411
Base-Backbone interact. energy: -0.003
local terms energy: -83.465808
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -18.064
flat angles C4'-P-C4' energy: -17.337
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -22.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -234.312934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.312934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.312934 (E_RNA)
where:
Base-Base interactions energy: -151.822
where: short stacking energy: -74.824
Base-Backbone interact. energy: 0.289
local terms energy: -82.779528
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -23.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -225.169890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.169890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.169890 (E_RNA)
where:
Base-Base interactions energy: -152.735
where: short stacking energy: -74.987
Base-Backbone interact. energy: -0.055
local terms energy: -72.379381
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -7.912
tors. eta vs tors. theta energy: -19.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -192.183592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.183592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.183592 (E_RNA)
where:
Base-Base interactions energy: -129.780
where: short stacking energy: -66.697
Base-Backbone interact. energy: -0.643
local terms energy: -61.760350
where:
bonds (distance) C4'-P energy: -9.501
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -9.462
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -15.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -188.527450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.527450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.527450 (E_RNA)
where:
Base-Base interactions energy: -130.917
where: short stacking energy: -54.652
Base-Backbone interact. energy: -0.153
local terms energy: -57.457732
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -7.913
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: -8.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -181.709447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.709447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.709447 (E_RNA)
where:
Base-Base interactions energy: -128.406
where: short stacking energy: -54.511
Base-Backbone interact. energy: 0.279
local terms energy: -53.582796
where:
bonds (distance) C4'-P energy: -15.146
bonds (distance) P-C4' energy: -10.997
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -6.011
tors. eta vs tors. theta energy: -8.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -167.645688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.645688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.645688 (E_RNA)
where:
Base-Base interactions energy: -115.535
where: short stacking energy: -50.096
Base-Backbone interact. energy: -0.162
local terms energy: -51.948719
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -9.293
flat angles P-C4'-P energy: -6.283
tors. eta vs tors. theta energy: -8.477
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: 6
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -82.848961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.848961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.848961 (E_RNA)
where:
Base-Base interactions energy: -28.851
where: short stacking energy: -28.851
Base-Backbone interact. energy: 0.461
local terms energy: -54.458551
where:
bonds (distance) C4'-P energy: -9.486
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: -5.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -91.813218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.813218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.813218 (E_RNA)
where:
Base-Base interactions energy: -39.934
where: short stacking energy: -38.344
Base-Backbone interact. energy: -0.845
local terms energy: -51.033344
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -9.943
flat angles C4'-P-C4' energy: -10.496
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -6.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -85.332166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.332166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.332166 (E_RNA)
where:
Base-Base interactions energy: -35.087
where: short stacking energy: -35.087
Base-Backbone interact. energy: -0.087
local terms energy: -50.157664
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -7.724
flat angles P-C4'-P energy: -11.059
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: 1
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -226.797674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.797674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.797674 (E_RNA)
where:
Base-Base interactions energy: -148.510
where: short stacking energy: -68.448
Base-Backbone interact. energy: -0.000
local terms energy: -78.287315
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -20.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -228.009719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.009719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.009719 (E_RNA)
where:
Base-Base interactions energy: -149.164
where: short stacking energy: -62.911
Base-Backbone interact. energy: -0.003
local terms energy: -78.843441
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -10.765
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: 4
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -223.474099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.474099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.474099 (E_RNA)
where:
Base-Base interactions energy: -147.628
where: short stacking energy: -74.659
Base-Backbone interact. energy: -0.211
local terms energy: -75.635391
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -13.463
tors. eta vs tors. theta energy: -19.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -177.691788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.691788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.691788 (E_RNA)
where:
Base-Base interactions energy: -114.795
where: short stacking energy: -52.651
Base-Backbone interact. energy: 0.231
local terms energy: -63.128141
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -13.076
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -9.532
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: 7
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -193.135121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.135121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.135121 (E_RNA)
where:
Base-Base interactions energy: -119.050
where: short stacking energy: -63.808
Base-Backbone interact. energy: 0.005
local terms energy: -74.090052
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -16.557
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: 9
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -175.499607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.499607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.499607 (E_RNA)
where:
Base-Base interactions energy: -133.740
where: short stacking energy: -53.834
Base-Backbone interact. energy: -0.867
local terms energy: -40.892532
where:
bonds (distance) C4'-P energy: -8.584
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -9.566
flat angles P-C4'-P energy: -1.481
tors. eta vs tors. theta energy: -8.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -182.137426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.137426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.137426 (E_RNA)
where:
Base-Base interactions energy: -114.442
where: short stacking energy: -57.051
Base-Backbone interact. energy: -0.025
local terms energy: -67.669829
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -12.803
flat angles C4'-P-C4' energy: -13.328
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: -17.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -88.656919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.656919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.656919 (E_RNA)
where:
Base-Base interactions energy: -35.724
where: short stacking energy: -19.622
Base-Backbone interact. energy: -0.462
local terms energy: -52.470471
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -13.084
flat angles C4'-P-C4' energy: -11.644
flat angles P-C4'-P energy: -12.380
tors. eta vs tors. theta energy: -2.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -88.469594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.469594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.469594 (E_RNA)
where:
Base-Base interactions energy: -42.414
where: short stacking energy: -32.973
Base-Backbone interact. energy: -1.225
local terms energy: -44.830579
where:
bonds (distance) C4'-P energy: -13.351
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -1.762
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: 10, replica: 2
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -85.443902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.443902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.443902 (E_RNA)
where:
Base-Base interactions energy: -30.892
where: short stacking energy: -25.195
Base-Backbone interact. energy: -0.207
local terms energy: -54.344956
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -11.719
flat angles C4'-P-C4' energy: -11.385
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -4.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -233.870166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.870166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.870166 (E_RNA)
where:
Base-Base interactions energy: -157.085
where: short stacking energy: -71.394
Base-Backbone interact. energy: -0.314
local terms energy: -76.471005
where:
bonds (distance) C4'-P energy: -12.589
bonds (distance) P-C4' energy: -15.281
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -12.445
tors. eta vs tors. theta energy: -23.063
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: 2, replica: 1
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -222.364460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.364460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.364460 (E_RNA)
where:
Base-Base interactions energy: -141.112
where: short stacking energy: -66.516
Base-Backbone interact. energy: -0.578
local terms energy: -80.674393
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -12.529
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: 3, replica: 4
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -218.866272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.866272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.866272 (E_RNA)
where:
Base-Base interactions energy: -144.552
where: short stacking energy: -64.591
Base-Backbone interact. energy: -0.825
local terms energy: -73.489756
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -12.442
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -10.933
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: 4, replica: 3
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -196.105304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.105304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.105304 (E_RNA)
where:
Base-Base interactions energy: -124.877
where: short stacking energy: -62.658
Base-Backbone interact. energy: -0.276
local terms energy: -70.952620
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -10.344
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: 5, replica: 9
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -192.012301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.012301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.012301 (E_RNA)
where:
Base-Base interactions energy: -125.298
where: short stacking energy: -47.297
Base-Backbone interact. energy: -1.676
local terms energy: -65.038439
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -10.456
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: 6, replica: 7
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -178.978356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.978356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.978356 (E_RNA)
where:
Base-Base interactions energy: -118.374
where: short stacking energy: -51.375
Base-Backbone interact. energy: -0.018
local terms energy: -60.585585
where:
bonds (distance) C4'-P energy: -8.850
bonds (distance) P-C4' energy: -13.872
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -14.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -96.751922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.751922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.751922 (E_RNA)
where:
Base-Base interactions energy: -45.893
where: short stacking energy: -31.546
Base-Backbone interact. energy: -0.301
local terms energy: -50.557884
where:
bonds (distance) C4'-P energy: -14.540
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -7.119
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: -3.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -172.657117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.657117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.657117 (E_RNA)
where:
Base-Base interactions energy: -115.795
where: short stacking energy: -49.884
Base-Backbone interact. energy: -0.004
local terms energy: -56.858125
where:
bonds (distance) C4'-P energy: -11.032
bonds (distance) P-C4' energy: -11.186
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -12.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -83.107858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.107858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.107858 (E_RNA)
where:
Base-Base interactions energy: -37.816
where: short stacking energy: -31.263
Base-Backbone interact. energy: -0.165
local terms energy: -45.126980
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -11.458
flat angles P-C4'-P energy: -6.209
tors. eta vs tors. theta energy: 0.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -73.095513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.095513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.095513 (E_RNA)
where:
Base-Base interactions energy: -27.809
where: short stacking energy: -27.809
Base-Backbone interact. energy: -0.088
local terms energy: -45.198481
where:
bonds (distance) C4'-P energy: -11.168
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -11.404
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: 3.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -233.492320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.492320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.492320 (E_RNA)
where:
Base-Base interactions energy: -148.292
where: short stacking energy: -73.343
Base-Backbone interact. energy: -0.123
local terms energy: -85.077567
where:
bonds (distance) C4'-P energy: -16.768
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: -24.288
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: 4
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -227.567153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.567153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.567153 (E_RNA)
where:
Base-Base interactions energy: -149.155
where: short stacking energy: -58.086
Base-Backbone interact. energy: -0.001
local terms energy: -78.412018
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -16.497
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -9.432
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: 3, replica: 1
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -214.507683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.507683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.507683 (E_RNA)
where:
Base-Base interactions energy: -139.413
where: short stacking energy: -64.744
Base-Backbone interact. energy: -0.522
local terms energy: -74.572342
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -14.055
flat angles C4'-P-C4' energy: -16.971
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: -17.658
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: 3
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -193.865760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.865760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.865760 (E_RNA)
where:
Base-Base interactions energy: -127.642
where: short stacking energy: -57.475
Base-Backbone interact. energy: -0.076
local terms energy: -66.147727
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -14.922
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -13.198
tors. eta vs tors. theta energy: -11.422
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: 9
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -190.096852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.096852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.096852 (E_RNA)
where:
Base-Base interactions energy: -131.885
where: short stacking energy: -44.927
Base-Backbone interact. energy: 0.218
local terms energy: -58.429828
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -11.862
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: -11.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -187.397525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.397525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.397525 (E_RNA)
where:
Base-Base interactions energy: -123.118
where: short stacking energy: -63.408
Base-Backbone interact. energy: -0.102
local terms energy: -64.178140
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -8.738
tors. eta vs tors. theta energy: -14.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -82.950559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.950559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.950559 (E_RNA)
where:
Base-Base interactions energy: -27.206
where: short stacking energy: -26.667
Base-Backbone interact. energy: 0.314
local terms energy: -56.059113
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -9.526
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -6.605
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: 10
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -162.015147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.015147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.015147 (E_RNA)
where:
Base-Base interactions energy: -107.373
where: short stacking energy: -43.831
Base-Backbone interact. energy: 0.966
local terms energy: -55.608356
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -11.619
flat angles C4'-P-C4' energy: -11.922
flat angles P-C4'-P energy: -5.198
tors. eta vs tors. theta energy: -13.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -79.833307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.833307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.833307 (E_RNA)
where:
Base-Base interactions energy: -30.783
where: short stacking energy: -30.783
Base-Backbone interact. energy: -0.087
local terms energy: -48.963240
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -16.109
flat angles C4'-P-C4' energy: -8.081
flat angles P-C4'-P energy: -6.336
tors. eta vs tors. theta energy: -4.012
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: 8
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -79.215029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.215029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.215029 (E_RNA)
where:
Base-Base interactions energy: -35.133
where: short stacking energy: -16.566
Base-Backbone interact. energy: -0.143
local terms energy: -43.938357
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -10.095
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: 3.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -230.565487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.565487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.565487 (E_RNA)
where:
Base-Base interactions energy: -151.747
where: short stacking energy: -77.692
Base-Backbone interact. energy: -0.575
local terms energy: -78.243645
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: -22.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -214.080941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.080941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.080941 (E_RNA)
where:
Base-Base interactions energy: -144.228
where: short stacking energy: -62.590
Base-Backbone interact. energy: -0.043
local terms energy: -69.810467
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -11.994
flat angles P-C4'-P energy: -7.313
tors. eta vs tors. theta energy: -18.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -214.468186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.468186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.468186 (E_RNA)
where:
Base-Base interactions energy: -137.739
where: short stacking energy: -70.254
Base-Backbone interact. energy: -0.415
local terms energy: -76.315047
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -12.774
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: 4, replica: 3
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -186.793497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.793497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.793497 (E_RNA)
where:
Base-Base interactions energy: -112.159
where: short stacking energy: -53.260
Base-Backbone interact. energy: -0.004
local terms energy: -74.630444
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -12.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -201.885608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.885608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.885608 (E_RNA)
where:
Base-Base interactions energy: -125.717
where: short stacking energy: -64.372
Base-Backbone interact. energy: -0.007
local terms energy: -76.161669
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -10.835
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: 6, replica: 9
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -170.077974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.077974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.077974 (E_RNA)
where:
Base-Base interactions energy: -102.737
where: short stacking energy: -46.168
Base-Backbone interact. energy: -0.837
local terms energy: -66.503629
where:
bonds (distance) C4'-P energy: -18.205
bonds (distance) P-C4' energy: -12.700
flat angles C4'-P-C4' energy: -16.890
flat angles P-C4'-P energy: -5.501
tors. eta vs tors. theta energy: -13.208
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: 10
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -163.134035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.134035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.134035 (E_RNA)
where:
Base-Base interactions energy: -103.372
where: short stacking energy: -39.866
Base-Backbone interact. energy: -0.064
local terms energy: -59.697830
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -9.385
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -9.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -85.618220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.618220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.618220 (E_RNA)
where:
Base-Base interactions energy: -35.277
where: short stacking energy: -29.015
Base-Backbone interact. energy: -0.305
local terms energy: -50.036077
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -15.428
flat angles P-C4'-P energy: -4.163
tors. eta vs tors. theta energy: -2.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -85.084372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.084372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.084372 (E_RNA)
where:
Base-Base interactions energy: -42.933
where: short stacking energy: -32.953
Base-Backbone interact. energy: 0.240
local terms energy: -42.390601
where:
bonds (distance) C4'-P energy: -9.827
bonds (distance) P-C4' energy: -12.182
flat angles C4'-P-C4' energy: -11.841
flat angles P-C4'-P energy: -4.782
tors. eta vs tors. theta energy: -3.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -84.221639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.221639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.221639 (E_RNA)
where:
Base-Base interactions energy: -45.853
where: short stacking energy: -34.635
Base-Backbone interact. energy: -0.216
local terms energy: -38.152986
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -8.191
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: 2.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -228.426213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.426213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.426213 (E_RNA)
where:
Base-Base interactions energy: -146.305
where: short stacking energy: -71.852
Base-Backbone interact. energy: -0.010
local terms energy: -82.111270
where:
bonds (distance) C4'-P energy: -15.497
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -16.620
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -21.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -210.493015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.493015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.493015 (E_RNA)
where:
Base-Base interactions energy: -144.126
where: short stacking energy: -66.942
Base-Backbone interact. energy: -0.017
local terms energy: -66.350064
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -13.425
flat angles C4'-P-C4' energy: -14.888
flat angles P-C4'-P energy: -3.700
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: 3, replica: 1
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -213.282901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.282901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.282901 (E_RNA)
where:
Base-Base interactions energy: -131.918
where: short stacking energy: -61.974
Base-Backbone interact. energy: -0.231
local terms energy: -81.133875
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -13.784
tors. eta vs tors. theta energy: -21.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -183.163484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.163484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.163484 (E_RNA)
where:
Base-Base interactions energy: -116.551
where: short stacking energy: -59.039
Base-Backbone interact. energy: -0.001
local terms energy: -66.611219
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -11.905
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -15.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -172.526325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.526325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.526325 (E_RNA)
where:
Base-Base interactions energy: -113.316
where: short stacking energy: -47.226
Base-Backbone interact. energy: -0.282
local terms energy: -58.928488
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -12.640
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -10.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -165.978060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.978060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.978060 (E_RNA)
where:
Base-Base interactions energy: -110.087
where: short stacking energy: -52.689
Base-Backbone interact. energy: -0.714
local terms energy: -55.177235
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -8.209
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: -10.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -174.818564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.818564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.818564 (E_RNA)
where:
Base-Base interactions energy: -113.917
where: short stacking energy: -51.570
Base-Backbone interact. energy: -0.010
local terms energy: -60.891132
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -12.541
flat angles P-C4'-P energy: -6.264
tors. eta vs tors. theta energy: -14.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -98.594592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.594592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.594592 (E_RNA)
where:
Base-Base interactions energy: -48.761
where: short stacking energy: -36.575
Base-Backbone interact. energy: -0.341
local terms energy: -49.492208
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -12.128
flat angles C4'-P-C4' energy: -12.298
flat angles P-C4'-P energy: -4.727
tors. eta vs tors. theta energy: -5.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -88.972886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.972886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.972886 (E_RNA)
where:
Base-Base interactions energy: -29.532
where: short stacking energy: -24.366
Base-Backbone interact. energy: -0.010
local terms energy: -59.430408
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -7.505
tors. eta vs tors. theta energy: -6.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -71.558124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.558124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.558124 (E_RNA)
where:
Base-Base interactions energy: -30.576
where: short stacking energy: -21.664
Base-Backbone interact. energy: 1.314
local terms energy: -42.295756
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -11.375
flat angles C4'-P-C4' energy: -8.919
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: -0.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -230.720233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.720233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.720233 (E_RNA)
where:
Base-Base interactions energy: -148.733
where: short stacking energy: -76.407
Base-Backbone interact. energy: -0.001
local terms energy: -81.985856
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -12.581
tors. eta vs tors. theta energy: -21.631
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: 4
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -224.746511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.746511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.746511 (E_RNA)
where:
Base-Base interactions energy: -152.573
where: short stacking energy: -70.667
Base-Backbone interact. energy: -0.016
local terms energy: -72.157072
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -7.926
tors. eta vs tors. theta energy: -20.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -200.996324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.996324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.996324 (E_RNA)
where:
Base-Base interactions energy: -132.170
where: short stacking energy: -67.308
Base-Backbone interact. energy: -0.037
local terms energy: -68.789714
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -11.229
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: -16.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -207.267075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.267075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.267075 (E_RNA)
where:
Base-Base interactions energy: -132.559
where: short stacking energy: -63.304
Base-Backbone interact. energy: -0.055
local terms energy: -74.652957
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -12.907
flat angles C4'-P-C4' energy: -17.212
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -20.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -187.197391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.197391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.197391 (E_RNA)
where:
Base-Base interactions energy: -115.626
where: short stacking energy: -58.372
Base-Backbone interact. energy: -0.094
local terms energy: -71.477678
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -15.950
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: -14.648
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: 7
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -179.689341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.689341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.689341 (E_RNA)
where:
Base-Base interactions energy: -114.533
where: short stacking energy: -50.371
Base-Backbone interact. energy: -0.092
local terms energy: -65.064591
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -14.417
flat angles P-C4'-P energy: -7.904
tors. eta vs tors. theta energy: -14.621
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: 9
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -164.884480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.884480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.884480 (E_RNA)
where:
Base-Base interactions energy: -105.290
where: short stacking energy: -48.211
Base-Backbone interact. energy: -0.006
local terms energy: -59.588525
where:
bonds (distance) C4'-P energy: -9.728
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -8.904
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: 8, replica: 8
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -97.308019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.308019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.308019 (E_RNA)
where:
Base-Base interactions energy: -51.316
where: short stacking energy: -30.376
Base-Backbone interact. energy: 0.249
local terms energy: -46.240850
where:
bonds (distance) C4'-P energy: -6.834
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -13.309
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: -0.879
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: 2
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -107.244639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.244639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.244639 (E_RNA)
where:
Base-Base interactions energy: -60.722
where: short stacking energy: -39.323
Base-Backbone interact. energy: -0.135
local terms energy: -46.387075
where:
bonds (distance) C4'-P energy: -7.892
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -12.416
flat angles P-C4'-P energy: -5.061
tors. eta vs tors. theta energy: -7.479
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: 6
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -77.630647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.630647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.630647 (E_RNA)
where:
Base-Base interactions energy: -29.336
where: short stacking energy: -29.019
Base-Backbone interact. energy: -0.069
local terms energy: -48.225851
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -11.666
flat angles P-C4'-P energy: -2.860
tors. eta vs tors. theta energy: -4.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -231.945793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.945793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.945793 (E_RNA)
where:
Base-Base interactions energy: -153.282
where: short stacking energy: -75.413
Base-Backbone interact. energy: -0.031
local terms energy: -78.633382
where:
bonds (distance) C4'-P energy: -13.968
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -11.210
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: 2, replica: 4
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -226.942726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.942726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.942726 (E_RNA)
where:
Base-Base interactions energy: -152.719
where: short stacking energy: -66.045
Base-Backbone interact. energy: -0.219
local terms energy: -74.005104
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -14.855
flat angles C4'-P-C4' energy: -16.875
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -19.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -189.405334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.405334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.405334 (E_RNA)
where:
Base-Base interactions energy: -122.245
where: short stacking energy: -59.231
Base-Backbone interact. energy: -0.106
local terms energy: -67.054369
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -14.060
flat angles P-C4'-P energy: -6.907
tors. eta vs tors. theta energy: -17.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -196.702625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.702625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.702625 (E_RNA)
where:
Base-Base interactions energy: -126.352
where: short stacking energy: -67.984
Base-Backbone interact. energy: -0.004
local terms energy: -70.347196
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -18.055
flat angles P-C4'-P energy: -7.641
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: 5, replica: 10
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -181.862810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.862810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.862810 (E_RNA)
where:
Base-Base interactions energy: -115.114
where: short stacking energy: -58.142
Base-Backbone interact. energy: -0.129
local terms energy: -66.619482
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -16.195
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -12.837
tors. eta vs tors. theta energy: -10.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -177.209139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.209139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.209139 (E_RNA)
where:
Base-Base interactions energy: -107.364
where: short stacking energy: -57.230
Base-Backbone interact. energy: -0.096
local terms energy: -69.748504
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -14.781
flat angles C4'-P-C4' energy: -18.253
flat angles P-C4'-P energy: -8.085
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: 7, replica: 7
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -171.288073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.288073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.288073 (E_RNA)
where:
Base-Base interactions energy: -108.764
where: short stacking energy: -47.805
Base-Backbone interact. energy: -0.088
local terms energy: -62.437010
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -9.150
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: 2
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -134.590806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.590806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.590806 (E_RNA)
where:
Base-Base interactions energy: -79.958
where: short stacking energy: -36.619
Base-Backbone interact. energy: 0.254
local terms energy: -54.887370
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -13.199
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -5.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -83.576215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.576215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.576215 (E_RNA)
where:
Base-Base interactions energy: -39.934
where: short stacking energy: -34.339
Base-Backbone interact. energy: -0.440
local terms energy: -43.202363
where:
bonds (distance) C4'-P energy: -11.965
bonds (distance) P-C4' energy: -12.257
flat angles C4'-P-C4' energy: -10.580
flat angles P-C4'-P energy: -5.215
tors. eta vs tors. theta energy: -3.185
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: 6
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -79.699021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.699021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.699021 (E_RNA)
where:
Base-Base interactions energy: -38.589
where: short stacking energy: -26.975
Base-Backbone interact. energy: -0.288
local terms energy: -40.821916
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -9.441
flat angles P-C4'-P energy: -5.090
tors. eta vs tors. theta energy: 2.289
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: 1, replica: 4
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -228.120561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.120561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.120561 (E_RNA)
where:
Base-Base interactions energy: -149.526
where: short stacking energy: -69.179
Base-Backbone interact. energy: -0.002
local terms energy: -78.592421
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -20.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -235.334663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.334663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.334663 (E_RNA)
where:
Base-Base interactions energy: -152.758
where: short stacking energy: -74.520
Base-Backbone interact. energy: -0.010
local terms energy: -82.566673
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -19.356
flat angles P-C4'-P energy: -9.827
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: 3, replica: 1
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -204.312574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.312574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.312574 (E_RNA)
where:
Base-Base interactions energy: -129.407
where: short stacking energy: -70.154
Base-Backbone interact. energy: -0.078
local terms energy: -74.827975
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -18.554
flat angles P-C4'-P energy: -12.292
tors. eta vs tors. theta energy: -17.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -186.806988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.806988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.806988 (E_RNA)
where:
Base-Base interactions energy: -127.436
where: short stacking energy: -52.323
Base-Backbone interact. energy: -0.364
local terms energy: -59.006098
where:
bonds (distance) C4'-P energy: -11.185
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -6.811
tors. eta vs tors. theta energy: -12.010
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: 10
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -190.799246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.799246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.799246 (E_RNA)
where:
Base-Base interactions energy: -117.715
where: short stacking energy: -61.577
Base-Backbone interact. energy: -0.035
local terms energy: -73.048880
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -17.231
flat angles P-C4'-P energy: -10.782
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: 6, replica: 9
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -170.607408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.607408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.607408 (E_RNA)
where:
Base-Base interactions energy: -113.621
where: short stacking energy: -48.024
Base-Backbone interact. energy: 0.896
local terms energy: -57.882526
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -6.179
tors. eta vs tors. theta energy: -6.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -170.375878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.375878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.375878 (E_RNA)
where:
Base-Base interactions energy: -118.338
where: short stacking energy: -57.476
Base-Backbone interact. energy: 0.056
local terms energy: -52.093499
where:
bonds (distance) C4'-P energy: -7.267
bonds (distance) P-C4' energy: -8.699
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -7.127
tors. eta vs tors. theta energy: -15.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -100.084157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.084157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.084157 (E_RNA)
where:
Base-Base interactions energy: -38.333
where: short stacking energy: -38.333
Base-Backbone interact. energy: -0.100
local terms energy: -61.650689
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -12.794
tors. eta vs tors. theta energy: -8.158
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: 6
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -81.563342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.563342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.563342 (E_RNA)
where:
Base-Base interactions energy: -31.097
where: short stacking energy: -24.016
Base-Backbone interact. energy: -0.657
local terms energy: -49.808728
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -7.147
tors. eta vs tors. theta energy: 2.226
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: 10, replica: 8
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -70.233906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.233906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.233906 (E_RNA)
where:
Base-Base interactions energy: -20.197
where: short stacking energy: -19.971
Base-Backbone interact. energy: 3.131
local terms energy: -53.168435
where:
bonds (distance) C4'-P energy: -11.067
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -1.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -228.280797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.280797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.280797 (E_RNA)
where:
Base-Base interactions energy: -147.326
where: short stacking energy: -69.214
Base-Backbone interact. energy: -0.007
local terms energy: -80.948087
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -16.536
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -23.337
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: 2, replica: 5
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -225.712191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.712191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.712191 (E_RNA)
where:
Base-Base interactions energy: -146.830
where: short stacking energy: -73.015
Base-Backbone interact. energy: -0.239
local terms energy: -78.643873
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -21.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -203.712110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.712110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.712110 (E_RNA)
where:
Base-Base interactions energy: -135.175
where: short stacking energy: -59.373
Base-Backbone interact. energy: -0.444
local terms energy: -68.092943
where:
bonds (distance) C4'-P energy: -15.867
bonds (distance) P-C4' energy: -10.205
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -17.990
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: 10
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -181.190285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.190285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.190285 (E_RNA)
where:
Base-Base interactions energy: -116.659
where: short stacking energy: -46.721
Base-Backbone interact. energy: -0.025
local terms energy: -64.506743
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -5.263
tors. eta vs tors. theta energy: -13.511
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: 3
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -181.732405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.732405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.732405 (E_RNA)
where:
Base-Base interactions energy: -118.527
where: short stacking energy: -56.491
Base-Backbone interact. energy: -0.129
local terms energy: -63.076607
where:
bonds (distance) C4'-P energy: -9.663
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -14.698
flat angles P-C4'-P energy: -9.186
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: 9
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -193.912509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.912509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.912509 (E_RNA)
where:
Base-Base interactions energy: -122.234
where: short stacking energy: -64.468
Base-Backbone interact. energy: -0.054
local terms energy: -71.624863
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -17.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -180.404180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.404180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.404180 (E_RNA)
where:
Base-Base interactions energy: -118.448
where: short stacking energy: -57.150
Base-Backbone interact. energy: -0.003
local terms energy: -61.952919
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -10.914
flat angles C4'-P-C4' energy: -11.156
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -15.324
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: 6
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -86.993630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.993630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.993630 (E_RNA)
where:
Base-Base interactions energy: -33.355
where: short stacking energy: -33.355
Base-Backbone interact. energy: 1.766
local terms energy: -55.404870
where:
bonds (distance) C4'-P energy: -16.926
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -11.296
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -4.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -79.468752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.468752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.468752 (E_RNA)
where:
Base-Base interactions energy: -30.829
where: short stacking energy: -30.829
Base-Backbone interact. energy: -0.136
local terms energy: -48.503721
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -11.820
flat angles P-C4'-P energy: -5.467
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: 8
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -79.864906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.864906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.864906 (E_RNA)
where:
Base-Base interactions energy: -17.525
where: short stacking energy: -14.448
Base-Backbone interact. energy: -0.831
local terms energy: -61.508473
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -0.408
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: 5
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -223.870622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.870622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.870622 (E_RNA)
where:
Base-Base interactions energy: -146.098
where: short stacking energy: -70.435
Base-Backbone interact. energy: -0.238
local terms energy: -77.533867
where:
bonds (distance) C4'-P energy: -12.684
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -11.164
tors. eta vs tors. theta energy: -19.909
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: 4
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -228.731950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.731950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.731950 (E_RNA)
where:
Base-Base interactions energy: -152.116
where: short stacking energy: -70.995
Base-Backbone interact. energy: 1.617
local terms energy: -78.232935
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -16.105
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -10.481
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: 10
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -195.950557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.950557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.950557 (E_RNA)
where:
Base-Base interactions energy: -121.183
where: short stacking energy: -57.250
Base-Backbone interact. energy: -0.006
local terms energy: -74.761634
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -16.698
flat angles C4'-P-C4' energy: -16.116
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -17.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -223.044181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.044181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.044181 (E_RNA)
where:
Base-Base interactions energy: -150.089
where: short stacking energy: -72.458
Base-Backbone interact. energy: -0.010
local terms energy: -72.944526
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -20.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -210.434889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.434889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.434889 (E_RNA)
where:
Base-Base interactions energy: -139.347
where: short stacking energy: -65.714
Base-Backbone interact. energy: -0.003
local terms energy: -71.084820
where:
bonds (distance) C4'-P energy: -12.244
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -16.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -172.784903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.784903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.784903 (E_RNA)
where:
Base-Base interactions energy: -102.984
where: short stacking energy: -43.080
Base-Backbone interact. energy: -0.110
local terms energy: -69.690939
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -16.078
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -12.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -170.262502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.262502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.262502 (E_RNA)
where:
Base-Base interactions energy: -106.818
where: short stacking energy: -53.705
Base-Backbone interact. energy: -0.005
local terms energy: -63.439124
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -8.405
tors. eta vs tors. theta energy: -12.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -87.883387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.883387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.883387 (E_RNA)
where:
Base-Base interactions energy: -33.426
where: short stacking energy: -30.820
Base-Backbone interact. energy: 0.176
local terms energy: -54.633477
where:
bonds (distance) C4'-P energy: -10.666
bonds (distance) P-C4' energy: -15.932
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -11.156
tors. eta vs tors. theta energy: -4.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -84.426349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.426349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.426349 (E_RNA)
where:
Base-Base interactions energy: -34.221
where: short stacking energy: -34.221
Base-Backbone interact. energy: -0.042
local terms energy: -50.164146
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -12.608
flat angles C4'-P-C4' energy: -10.442
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -5.078
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: 8
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -74.754810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.754810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.754810 (E_RNA)
where:
Base-Base interactions energy: -33.130
where: short stacking energy: -33.130
Base-Backbone interact. energy: -0.226
local terms energy: -41.399475
where:
bonds (distance) C4'-P energy: -7.959
bonds (distance) P-C4' energy: -7.926
flat angles C4'-P-C4' energy: -16.020
flat angles P-C4'-P energy: -3.052
tors. eta vs tors. theta energy: -6.443
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: 5
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -222.749693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.749693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.749693 (E_RNA)
where:
Base-Base interactions energy: -149.619
where: short stacking energy: -73.766
Base-Backbone interact. energy: -0.102
local terms energy: -73.028588
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -12.992
flat angles C4'-P-C4' energy: -17.373
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -18.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -232.434222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.434222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.434222 (E_RNA)
where:
Base-Base interactions energy: -158.477
where: short stacking energy: -73.941
Base-Backbone interact. energy: 0.155
local terms energy: -74.112485
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -15.982
flat angles C4'-P-C4' energy: -16.254
flat angles P-C4'-P energy: -6.870
tors. eta vs tors. theta energy: -21.578
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: 10
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -197.603917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.603917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.603917 (E_RNA)
where:
Base-Base interactions energy: -125.106
where: short stacking energy: -60.415
Base-Backbone interact. energy: -0.257
local terms energy: -72.241085
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -17.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -187.613553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.613553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.613553 (E_RNA)
where:
Base-Base interactions energy: -119.047
where: short stacking energy: -57.929
Base-Backbone interact. energy: -0.029
local terms energy: -68.537444
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -8.642
tors. eta vs tors. theta energy: -15.543
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: 1
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -213.301535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.301535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.301535 (E_RNA)
where:
Base-Base interactions energy: -140.552
where: short stacking energy: -69.946
Base-Backbone interact. energy: -0.280
local terms energy: -72.469545
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -16.311
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -18.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -177.067503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.067503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.067503 (E_RNA)
where:
Base-Base interactions energy: -119.610
where: short stacking energy: -64.524
Base-Backbone interact. energy: -0.002
local terms energy: -57.455926
where:
bonds (distance) C4'-P energy: -14.801
bonds (distance) P-C4' energy: -9.996
flat angles C4'-P-C4' energy: -7.809
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -15.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -171.903641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.903641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.903641 (E_RNA)
where:
Base-Base interactions energy: -120.409
where: short stacking energy: -56.816
Base-Backbone interact. energy: 0.211
local terms energy: -51.705445
where:
bonds (distance) C4'-P energy: -6.676
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -4.455
tors. eta vs tors. theta energy: -11.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -87.645106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.645106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.645106 (E_RNA)
where:
Base-Base interactions energy: -40.115
where: short stacking energy: -40.115
Base-Backbone interact. energy: -0.135
local terms energy: -47.395603
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -11.393
flat angles C4'-P-C4' energy: -12.546
flat angles P-C4'-P energy: -6.910
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: 6
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -88.605392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.605392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.605392 (E_RNA)
where:
Base-Base interactions energy: -35.112
where: short stacking energy: -25.633
Base-Backbone interact. energy: -0.196
local terms energy: -53.296598
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: 0.901
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: 8
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -77.454989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.454989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.454989 (E_RNA)
where:
Base-Base interactions energy: -25.974
where: short stacking energy: -25.974
Base-Backbone interact. energy: -0.104
local terms energy: -51.376440
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -11.989
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -2.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -229.202302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.202302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.202302 (E_RNA)
where:
Base-Base interactions energy: -154.482
where: short stacking energy: -65.026
Base-Backbone interact. energy: 0.452
local terms energy: -75.172224
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -10.754
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: 2, replica: 5
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -226.307557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.307557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.307557 (E_RNA)
where:
Base-Base interactions energy: -149.031
where: short stacking energy: -70.855
Base-Backbone interact. energy: -0.933
local terms energy: -76.343290
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -12.641
tors. eta vs tors. theta energy: -20.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -195.866230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.866230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.866230 (E_RNA)
where:
Base-Base interactions energy: -126.489
where: short stacking energy: -62.673
Base-Backbone interact. energy: -0.030
local terms energy: -69.346898
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -13.846
tors. eta vs tors. theta energy: -15.805
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: 3
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -189.153757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.153757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.153757 (E_RNA)
where:
Base-Base interactions energy: -124.530
where: short stacking energy: -62.679
Base-Backbone interact. energy: -0.170
local terms energy: -64.454175
where:
bonds (distance) C4'-P energy: -8.779
bonds (distance) P-C4' energy: -13.146
flat angles C4'-P-C4' energy: -17.163
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -16.578
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: 1
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -215.313283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.313283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.313283 (E_RNA)
where:
Base-Base interactions energy: -146.241
where: short stacking energy: -67.637
Base-Backbone interact. energy: -0.647
local terms energy: -68.425636
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -6.386
tors. eta vs tors. theta energy: -19.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -179.770142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.770142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.770142 (E_RNA)
where:
Base-Base interactions energy: -112.479
where: short stacking energy: -54.148
Base-Backbone interact. energy: -0.095
local terms energy: -67.196281
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -13.828
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: 9
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -171.979493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.979493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.979493 (E_RNA)
where:
Base-Base interactions energy: -116.947
where: short stacking energy: -52.048
Base-Backbone interact. energy: -0.012
local terms energy: -55.020946
where:
bonds (distance) C4'-P energy: -8.707
bonds (distance) P-C4' energy: -13.366
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -4.792
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: 8, replica: 2
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -93.663635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.663635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.663635 (E_RNA)
where:
Base-Base interactions energy: -39.578
where: short stacking energy: -26.863
Base-Backbone interact. energy: -0.150
local terms energy: -53.936179
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -14.943
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -2.200
tors. eta vs tors. theta energy: -5.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -84.664642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.664642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.664642 (E_RNA)
where:
Base-Base interactions energy: -26.327
where: short stacking energy: -26.327
Base-Backbone interact. energy: -0.092
local terms energy: -58.245306
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: -3.922
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: 6
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -85.315702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.315702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.315702 (E_RNA)
where:
Base-Base interactions energy: -32.097
where: short stacking energy: -31.178
Base-Backbone interact. energy: 0.798
local terms energy: -54.016886
where:
bonds (distance) C4'-P energy: -9.880
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -6.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -229.143682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.143682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.143682 (E_RNA)
where:
Base-Base interactions energy: -150.755
where: short stacking energy: -70.807
Base-Backbone interact. energy: -0.133
local terms energy: -78.255233
where:
bonds (distance) C4'-P energy: -10.959
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -13.149
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: 2, replica: 5
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -227.430144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.430144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.430144 (E_RNA)
where:
Base-Base interactions energy: -146.841
where: short stacking energy: -72.377
Base-Backbone interact. energy: -0.100
local terms energy: -80.489141
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -23.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -190.077098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.077098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.077098 (E_RNA)
where:
Base-Base interactions energy: -122.473
where: short stacking energy: -61.369
Base-Backbone interact. energy: -0.071
local terms energy: -67.532782
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -13.908
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: 1
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -211.574502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.574502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.574502 (E_RNA)
where:
Base-Base interactions energy: -136.065
where: short stacking energy: -72.014
Base-Backbone interact. energy: -0.001
local terms energy: -75.507781
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -17.305
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -19.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -193.461508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.461508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.461508 (E_RNA)
where:
Base-Base interactions energy: -134.226
where: short stacking energy: -57.387
Base-Backbone interact. energy: 2.366
local terms energy: -61.602063
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -6.087
tors. eta vs tors. theta energy: -8.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -193.988146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.988146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.988146 (E_RNA)
where:
Base-Base interactions energy: -122.998
where: short stacking energy: -62.872
Base-Backbone interact. energy: -0.214
local terms energy: -70.776446
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -12.098
flat angles P-C4'-P energy: -8.468
tors. eta vs tors. theta energy: -21.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -175.065271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.065271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.065271 (E_RNA)
where:
Base-Base interactions energy: -113.734
where: short stacking energy: -50.843
Base-Backbone interact. energy: -0.007
local terms energy: -61.324265
where:
bonds (distance) C4'-P energy: -15.742
bonds (distance) P-C4' energy: -11.238
flat angles C4'-P-C4' energy: -11.749
flat angles P-C4'-P energy: -8.962
tors. eta vs tors. theta energy: -13.633
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: 8
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -96.267902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.267902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.267902 (E_RNA)
where:
Base-Base interactions energy: -34.480
where: short stacking energy: -34.480
Base-Backbone interact. energy: -1.036
local terms energy: -60.752103
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: -7.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -90.380818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.380818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.380818 (E_RNA)
where:
Base-Base interactions energy: -41.907
where: short stacking energy: -38.437
Base-Backbone interact. energy: -0.144
local terms energy: -48.329176
where:
bonds (distance) C4'-P energy: -8.370
bonds (distance) P-C4' energy: -12.191
flat angles C4'-P-C4' energy: -11.788
flat angles P-C4'-P energy: -6.275
tors. eta vs tors. theta energy: -9.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -77.436263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.436263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.436263 (E_RNA)
where:
Base-Base interactions energy: -23.962
where: short stacking energy: -19.496
Base-Backbone interact. energy: -0.057
local terms energy: -53.417467
where:
bonds (distance) C4'-P energy: -17.344
bonds (distance) P-C4' energy: -14.841
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -7.486
tors. eta vs tors. theta energy: -0.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -229.599941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.599941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.599941 (E_RNA)
where:
Base-Base interactions energy: -149.331
where: short stacking energy: -68.582
Base-Backbone interact. energy: -0.030
local terms energy: -80.239266
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -21.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -230.976744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.976744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.976744 (E_RNA)
where:
Base-Base interactions energy: -152.621
where: short stacking energy: -70.849
Base-Backbone interact. energy: -0.001
local terms energy: -78.354698
where:
bonds (distance) C4'-P energy: -13.508
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -21.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -221.603452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.603452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.603452 (E_RNA)
where:
Base-Base interactions energy: -147.428
where: short stacking energy: -71.472
Base-Backbone interact. energy: -0.466
local terms energy: -73.709660
where:
bonds (distance) C4'-P energy: -11.704
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -14.469
flat angles P-C4'-P energy: -7.446
tors. eta vs tors. theta energy: -22.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -181.751238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.751238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.751238 (E_RNA)
where:
Base-Base interactions energy: -113.128
where: short stacking energy: -48.033
Base-Backbone interact. energy: -0.217
local terms energy: -68.405282
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -13.910
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -13.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -189.781937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.781937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.781937 (E_RNA)
where:
Base-Base interactions energy: -128.784
where: short stacking energy: -53.398
Base-Backbone interact. energy: -0.225
local terms energy: -60.773330
where:
bonds (distance) C4'-P energy: -10.001
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -8.495
flat angles P-C4'-P energy: -9.887
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: 3
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -176.754735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.754735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.754735 (E_RNA)
where:
Base-Base interactions energy: -118.585
where: short stacking energy: -57.248
Base-Backbone interact. energy: -0.103
local terms energy: -58.066913
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -10.884
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -9.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -175.463968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.463968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.463968 (E_RNA)
where:
Base-Base interactions energy: -107.969
where: short stacking energy: -49.335
Base-Backbone interact. energy: -0.060
local terms energy: -67.434833
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -11.500
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -13.904
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: 8, replica: 8
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -84.507155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.507155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.507155 (E_RNA)
where:
Base-Base interactions energy: -26.686
where: short stacking energy: -26.686
Base-Backbone interact. energy: -0.009
local terms energy: -57.812065
where:
bonds (distance) C4'-P energy: -9.295
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -12.729
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -7.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -86.665486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.665486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.665486 (E_RNA)
where:
Base-Base interactions energy: -42.133
where: short stacking energy: -37.624
Base-Backbone interact. energy: -0.095
local terms energy: -44.437777
where:
bonds (distance) C4'-P energy: -11.259
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -5.559
tors. eta vs tors. theta energy: -1.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -69.238891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.238891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.238891 (E_RNA)
where:
Base-Base interactions energy: -17.162
where: short stacking energy: -17.162
Base-Backbone interact. energy: -0.044
local terms energy: -52.032262
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -8.786
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -2.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -242.096730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.096730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.096730 (E_RNA)
where:
Base-Base interactions energy: -157.231
where: short stacking energy: -75.074
Base-Backbone interact. energy: -0.761
local terms energy: -84.105106
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -17.847
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -12.472
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: 1
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -223.909018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.909018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.909018 (E_RNA)
where:
Base-Base interactions energy: -152.659
where: short stacking energy: -73.306
Base-Backbone interact. energy: -0.042
local terms energy: -71.207686
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -11.577
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: -22.702
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: 4
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -219.505202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.505202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.505202 (E_RNA)
where:
Base-Base interactions energy: -143.815
where: short stacking energy: -68.332
Base-Backbone interact. energy: 0.099
local terms energy: -75.789268
where:
bonds (distance) C4'-P energy: -10.199
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -11.178
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: 4, replica: 7
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -197.021394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.021394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.021394 (E_RNA)
where:
Base-Base interactions energy: -119.484
where: short stacking energy: -54.030
Base-Backbone interact. energy: -0.003
local terms energy: -77.533864
where:
bonds (distance) C4'-P energy: -15.964
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -18.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -177.826045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.826045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.826045 (E_RNA)
where:
Base-Base interactions energy: -112.593
where: short stacking energy: -46.972
Base-Backbone interact. energy: -0.005
local terms energy: -65.228084
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -12.504
flat angles P-C4'-P energy: -12.950
tors. eta vs tors. theta energy: -11.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -191.660566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.660566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.660566 (E_RNA)
where:
Base-Base interactions energy: -127.142
where: short stacking energy: -55.332
Base-Backbone interact. energy: -0.216
local terms energy: -64.303114
where:
bonds (distance) C4'-P energy: -18.156
bonds (distance) P-C4' energy: -13.749
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -5.546
tors. eta vs tors. theta energy: -12.980
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: 495
Temperature: 1.200000
Total energy: -164.794366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.794366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.794366 (E_RNA)
where:
Base-Base interactions energy: -103.621
where: short stacking energy: -43.652
Base-Backbone interact. energy: -0.045
local terms energy: -61.128421
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -14.489
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -3.246
tors. eta vs tors. theta energy: -13.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -98.047515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.047515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.047515 (E_RNA)
where:
Base-Base interactions energy: -50.635
where: short stacking energy: -26.355
Base-Backbone interact. energy: -0.076
local terms energy: -47.335814
where:
bonds (distance) C4'-P energy: -10.681
bonds (distance) P-C4' energy: -11.811
flat angles C4'-P-C4' energy: -11.473
flat angles P-C4'-P energy: -5.172
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: 9, replica: 8
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -78.412009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.412009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.412009 (E_RNA)
where:
Base-Base interactions energy: -35.078
where: short stacking energy: -35.078
Base-Backbone interact. energy: -0.143
local terms energy: -43.191000
where:
bonds (distance) C4'-P energy: -3.321
bonds (distance) P-C4' energy: -8.128
flat angles C4'-P-C4' energy: -16.411
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -6.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -67.547209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.547209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.547209 (E_RNA)
where:
Base-Base interactions energy: -18.195
where: short stacking energy: -16.720
Base-Backbone interact. energy: -0.380
local terms energy: -48.971906
where:
bonds (distance) C4'-P energy: -10.219
bonds (distance) P-C4' energy: -9.137
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -11.261
tors. eta vs tors. theta energy: -1.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -228.731790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.731790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.731790 (E_RNA)
where:
Base-Base interactions energy: -152.713
where: short stacking energy: -70.931
Base-Backbone interact. energy: -1.186
local terms energy: -74.832615
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -8.482
tors. eta vs tors. theta energy: -20.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -225.006701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.006701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.006701 (E_RNA)
where:
Base-Base interactions energy: -152.868
where: short stacking energy: -70.015
Base-Backbone interact. energy: -0.027
local terms energy: -72.112124
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -7.444
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: 3, replica: 7
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -192.016476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.016476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.016476 (E_RNA)
where:
Base-Base interactions energy: -127.350
where: short stacking energy: -53.964
Base-Backbone interact. energy: -0.105
local terms energy: -64.561524
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -14.434
flat angles C4'-P-C4' energy: -12.493
flat angles P-C4'-P energy: -9.706
tors. eta vs tors. theta energy: -14.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -199.700610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.700610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.700610 (E_RNA)
where:
Base-Base interactions energy: -133.003
where: short stacking energy: -58.655
Base-Backbone interact. energy: -0.315
local terms energy: -66.382683
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -13.858
flat angles P-C4'-P energy: -6.065
tors. eta vs tors. theta energy: -19.879
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: 9
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -193.478119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.478119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.478119 (E_RNA)
where:
Base-Base interactions energy: -122.032
where: short stacking energy: -63.159
Base-Backbone interact. energy: 0.660
local terms energy: -72.105722
where:
bonds (distance) C4'-P energy: -12.288
bonds (distance) P-C4' energy: -15.845
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -12.179
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: 6, replica: 10
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -174.510087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.510087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.510087 (E_RNA)
where:
Base-Base interactions energy: -116.710
where: short stacking energy: -49.448
Base-Backbone interact. energy: -0.132
local terms energy: -57.667896
where:
bonds (distance) C4'-P energy: -9.258
bonds (distance) P-C4' energy: -15.285
flat angles C4'-P-C4' energy: -12.265
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -11.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -167.508071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.508071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.508071 (E_RNA)
where:
Base-Base interactions energy: -107.781
where: short stacking energy: -44.558
Base-Backbone interact. energy: -0.112
local terms energy: -59.614536
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -12.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -95.450606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.450606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.450606 (E_RNA)
where:
Base-Base interactions energy: -55.061
where: short stacking energy: -34.288
Base-Backbone interact. energy: -0.364
local terms energy: -40.025222
where:
bonds (distance) C4'-P energy: -0.860
bonds (distance) P-C4' energy: -13.468
flat angles C4'-P-C4' energy: -12.921
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -3.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -92.184504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.184504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.184504 (E_RNA)
where:
Base-Base interactions energy: -38.075
where: short stacking energy: -28.245
Base-Backbone interact. energy: -0.281
local terms energy: -53.828612
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -10.640
flat angles P-C4'-P energy: -4.854
tors. eta vs tors. theta energy: -6.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -71.654369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.654369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.654369 (E_RNA)
where:
Base-Base interactions energy: -25.570
where: short stacking energy: -22.497
Base-Backbone interact. energy: -0.339
local terms energy: -45.745397
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -10.983
flat angles C4'-P-C4' energy: -9.514
flat angles P-C4'-P energy: -11.166
tors. eta vs tors. theta energy: -0.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -230.064138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.064138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.064138 (E_RNA)
where:
Base-Base interactions energy: -149.569
where: short stacking energy: -70.738
Base-Backbone interact. energy: -0.100
local terms energy: -80.395100
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -22.525
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: 2, replica: 1
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -230.924796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.924796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.924796 (E_RNA)
where:
Base-Base interactions energy: -150.697
where: short stacking energy: -75.274
Base-Backbone interact. energy: 0.028
local terms energy: -80.256192
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -22.689
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: 7
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -201.803217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.803217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.803217 (E_RNA)
where:
Base-Base interactions energy: -123.338
where: short stacking energy: -60.634
Base-Backbone interact. energy: -0.120
local terms energy: -78.345350
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -17.310
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -21.202
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: 9
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -191.930647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.930647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.930647 (E_RNA)
where:
Base-Base interactions energy: -119.441
where: short stacking energy: -61.868
Base-Backbone interact. energy: -0.002
local terms energy: -72.487654
where:
bonds (distance) C4'-P energy: -17.046
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -8.354
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: 4
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -198.083590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.083590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.083590 (E_RNA)
where:
Base-Base interactions energy: -130.066
where: short stacking energy: -66.174
Base-Backbone interact. energy: 0.683
local terms energy: -68.700929
where:
bonds (distance) C4'-P energy: -11.912
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -10.728
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: 6, replica: 3
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -145.783252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.783252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.783252 (E_RNA)
where:
Base-Base interactions energy: -81.559
where: short stacking energy: -49.687
Base-Backbone interact. energy: 0.016
local terms energy: -64.240409
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -12.724
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -15.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -171.663570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.663570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.663570 (E_RNA)
where:
Base-Base interactions energy: -111.316
where: short stacking energy: -53.848
Base-Backbone interact. energy: -0.101
local terms energy: -60.246926
where:
bonds (distance) C4'-P energy: -11.026
bonds (distance) P-C4' energy: -10.713
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: -15.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -95.559968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.559968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.559968 (E_RNA)
where:
Base-Base interactions energy: -44.969
where: short stacking energy: -44.969
Base-Backbone interact. energy: 0.252
local terms energy: -50.842834
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -11.016
flat angles C4'-P-C4' energy: -9.031
flat angles P-C4'-P energy: -8.196
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: 2
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -85.993755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.993755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.993755 (E_RNA)
where:
Base-Base interactions energy: -38.101
where: short stacking energy: -20.080
Base-Backbone interact. energy: -0.126
local terms energy: -47.766354
where:
bonds (distance) C4'-P energy: -11.736
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -10.738
flat angles P-C4'-P energy: -8.113
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: 10, replica: 8
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -86.594763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.594763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.594763 (E_RNA)
where:
Base-Base interactions energy: -31.769
where: short stacking energy: -25.354
Base-Backbone interact. energy: -0.276
local terms energy: -54.549572
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -9.165
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: 1, replica: 1
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -228.000283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.000283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.000283 (E_RNA)
where:
Base-Base interactions energy: -154.389
where: short stacking energy: -74.396
Base-Backbone interact. energy: -0.669
local terms energy: -72.942727
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -16.605
flat angles P-C4'-P energy: -8.148
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: 2, replica: 5
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -230.396220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.396220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.396220 (E_RNA)
where:
Base-Base interactions energy: -149.238
where: short stacking energy: -80.119
Base-Backbone interact. energy: -0.013
local terms energy: -81.145154
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -12.356
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: 3, replica: 7
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -203.844273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.844273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.844273 (E_RNA)
where:
Base-Base interactions energy: -135.374
where: short stacking energy: -51.903
Base-Backbone interact. energy: -0.009
local terms energy: -68.460626
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -12.759
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: 9
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -190.821810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.821810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.821810 (E_RNA)
where:
Base-Base interactions energy: -118.334
where: short stacking energy: -60.241
Base-Backbone interact. energy: -0.027
local terms energy: -72.461305
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: -15.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -206.401303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.401303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.401303 (E_RNA)
where:
Base-Base interactions energy: -134.861
where: short stacking energy: -62.318
Base-Backbone interact. energy: 0.731
local terms energy: -72.272222
where:
bonds (distance) C4'-P energy: -10.426
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -20.529
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: 3
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -140.400793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.400793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.400793 (E_RNA)
where:
Base-Base interactions energy: -78.654
where: short stacking energy: -37.932
Base-Backbone interact. energy: -0.645
local terms energy: -61.102639
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: -6.648
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: 10
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -181.693812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.693812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.693812 (E_RNA)
where:
Base-Base interactions energy: -119.885
where: short stacking energy: -56.494
Base-Backbone interact. energy: -0.278
local terms energy: -61.530739
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -10.674
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: 8, replica: 6
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -79.112043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.112043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.112043 (E_RNA)
where:
Base-Base interactions energy: -26.476
where: short stacking energy: -26.476
Base-Backbone interact. energy: -0.028
local terms energy: -52.608551
where:
bonds (distance) C4'-P energy: -17.162
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -7.547
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -5.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -78.077308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.077308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.077308 (E_RNA)
where:
Base-Base interactions energy: -25.936
where: short stacking energy: -24.784
Base-Backbone interact. energy: -0.106
local terms energy: -52.035514
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -19.134
flat angles C4'-P-C4' energy: -8.239
flat angles P-C4'-P energy: -13.275
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: 10, replica: 2
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -76.985753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.985753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.985753 (E_RNA)
where:
Base-Base interactions energy: -28.091
where: short stacking energy: -22.383
Base-Backbone interact. energy: -0.094
local terms energy: -48.800751
where:
bonds (distance) C4'-P energy: -15.768
bonds (distance) P-C4' energy: -17.782
flat angles C4'-P-C4' energy: -7.885
flat angles P-C4'-P energy: -5.655
tors. eta vs tors. theta energy: -1.711
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: 1, replica: 1
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -236.408980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.408980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.408980 (E_RNA)
where:
Base-Base interactions energy: -158.069
where: short stacking energy: -77.513
Base-Backbone interact. energy: -0.021
local terms energy: -78.319216
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -17.427
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -20.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -207.897087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.897087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.897087 (E_RNA)
where:
Base-Base interactions energy: -142.983
where: short stacking energy: -64.355
Base-Backbone interact. energy: -0.149
local terms energy: -64.765176
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -11.427
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -2.631
tors. eta vs tors. theta energy: -17.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -226.839298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.839298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.839298 (E_RNA)
where:
Base-Base interactions energy: -149.107
where: short stacking energy: -77.837
Base-Backbone interact. energy: -0.324
local terms energy: -77.407774
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -21.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -205.287582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.287582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.287582 (E_RNA)
where:
Base-Base interactions energy: -131.348
where: short stacking energy: -64.676
Base-Backbone interact. energy: -0.105
local terms energy: -73.834358
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -14.995
flat angles P-C4'-P energy: -12.474
tors. eta vs tors. theta energy: -18.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -184.926170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.926170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.926170 (E_RNA)
where:
Base-Base interactions energy: -109.332
where: short stacking energy: -52.857
Base-Backbone interact. energy: -0.109
local terms energy: -75.485246
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -13.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -189.767396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.767396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.767396 (E_RNA)
where:
Base-Base interactions energy: -122.258
where: short stacking energy: -60.550
Base-Backbone interact. energy: -0.006
local terms energy: -67.502960
where:
bonds (distance) C4'-P energy: -12.879
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -6.222
tors. eta vs tors. theta energy: -16.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -101.929594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.929594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.929594 (E_RNA)
where:
Base-Base interactions energy: -45.141
where: short stacking energy: -31.080
Base-Backbone interact. energy: 0.125
local terms energy: -56.913937
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -10.544
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -3.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -79.767605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.767605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.767605 (E_RNA)
where:
Base-Base interactions energy: -29.829
where: short stacking energy: -25.220
Base-Backbone interact. energy: -0.170
local terms energy: -49.768719
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -13.456
flat angles C4'-P-C4' energy: -11.946
flat angles P-C4'-P energy: -11.200
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: 9, replica: 6
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -77.120696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.120696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.120696 (E_RNA)
where:
Base-Base interactions energy: -35.133
where: short stacking energy: -25.968
Base-Backbone interact. energy: -0.125
local terms energy: -41.862573
where:
bonds (distance) C4'-P energy: -10.893
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -9.682
flat angles P-C4'-P energy: -7.273
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: 10, replica: 2
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -81.714730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.714730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.714730 (E_RNA)
where:
Base-Base interactions energy: -36.893
where: short stacking energy: -35.063
Base-Backbone interact. energy: -0.269
local terms energy: -44.552805
where:
bonds (distance) C4'-P energy: -8.894
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -8.597
flat angles P-C4'-P energy: -5.503
tors. eta vs tors. theta energy: -3.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -210.545759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.545759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.545759 (E_RNA)
where:
Base-Base interactions energy: -139.724
where: short stacking energy: -67.420
Base-Backbone interact. energy: -0.440
local terms energy: -70.382403
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -13.816
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -8.853
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: 2, replica: 1
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -233.334260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.334260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.334260 (E_RNA)
where:
Base-Base interactions energy: -158.248
where: short stacking energy: -78.188
Base-Backbone interact. energy: -0.011
local terms energy: -75.074776
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -12.739
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -19.234
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: 3, replica: 5
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -222.249528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.249528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.249528 (E_RNA)
where:
Base-Base interactions energy: -145.792
where: short stacking energy: -70.036
Base-Backbone interact. energy: -0.004
local terms energy: -76.453726
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -18.946
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: 500
Temperature: 1.050000
Total energy: -220.815680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.815680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.815680 (E_RNA)
where:
Base-Base interactions energy: -150.273
where: short stacking energy: -71.662
Base-Backbone interact. energy: -0.039
local terms energy: -70.503590
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -18.306
flat angles P-C4'-P energy: -9.004
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: 5, replica: 9
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -188.004844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.004844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.004844 (E_RNA)
where:
Base-Base interactions energy: -117.391
where: short stacking energy: -59.731
Base-Backbone interact. energy: -0.005
local terms energy: -70.608867
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -12.027
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -16.871
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: 6, replica: 10
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -183.479645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.479645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.479645 (E_RNA)
where:
Base-Base interactions energy: -115.909
where: short stacking energy: -58.607
Base-Backbone interact. energy: -0.002
local terms energy: -67.568982
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -6.938
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: 7, replica: 8
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -83.065940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.065940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.065940 (E_RNA)
where:
Base-Base interactions energy: -34.684
where: short stacking energy: -32.039
Base-Backbone interact. energy: -0.673
local terms energy: -47.708867
where:
bonds (distance) C4'-P energy: -11.943
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -9.282
flat angles P-C4'-P energy: -6.509
tors. eta vs tors. theta energy: -5.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -88.700406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.700406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.700406 (E_RNA)
where:
Base-Base interactions energy: -41.968
where: short stacking energy: -32.222
Base-Backbone interact. energy: 0.187
local terms energy: -46.918988
where:
bonds (distance) C4'-P energy: -11.201
bonds (distance) P-C4' energy: -15.841
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -2.487
tors. eta vs tors. theta energy: -4.108
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: 2
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -79.567899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.567899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.567899 (E_RNA)
where:
Base-Base interactions energy: -34.395
where: short stacking energy: -34.395
Base-Backbone interact. energy: 0.987
local terms energy: -46.159306
where:
bonds (distance) C4'-P energy: -7.892
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -13.885
flat angles P-C4'-P energy: -6.909
tors. eta vs tors. theta energy: -4.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -69.913619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.913619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.913619 (E_RNA)
where:
Base-Base interactions energy: -25.307
where: short stacking energy: -24.093
Base-Backbone interact. energy: 1.054
local terms energy: -45.660784
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -12.546
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: 3.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -208.390838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.390838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.390838 (E_RNA)
where:
Base-Base interactions energy: -134.266
where: short stacking energy: -70.572
Base-Backbone interact. energy: -0.097
local terms energy: -74.027570
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -11.826
flat angles C4'-P-C4' energy: -18.051
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: -22.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -207.272133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.272133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.272133 (E_RNA)
where:
Base-Base interactions energy: -140.512
where: short stacking energy: -67.418
Base-Backbone interact. energy: -0.063
local terms energy: -66.696419
where:
bonds (distance) C4'-P energy: -10.162
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -12.904
flat angles P-C4'-P energy: -10.650
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: 3, replica: 1
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -222.964585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.964585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.964585 (E_RNA)
where:
Base-Base interactions energy: -145.573
where: short stacking energy: -77.021
Base-Backbone interact. energy: -0.165
local terms energy: -77.227245
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -19.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -209.692376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.692376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.692376 (E_RNA)
where:
Base-Base interactions energy: -132.076
where: short stacking energy: -60.301
Base-Backbone interact. energy: -0.903
local terms energy: -76.712981
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -8.259
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: 5, replica: 9
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -183.176896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.176896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.176896 (E_RNA)
where:
Base-Base interactions energy: -117.633
where: short stacking energy: -51.028
Base-Backbone interact. energy: 0.281
local terms energy: -65.824588
where:
bonds (distance) C4'-P energy: -15.331
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: -11.125
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: 6, replica: 10
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -176.236304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.236304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.236304 (E_RNA)
where:
Base-Base interactions energy: -113.961
where: short stacking energy: -52.888
Base-Backbone interact. energy: -0.158
local terms energy: -62.116890
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -6.392
tors. eta vs tors. theta energy: -17.300
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: 8
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -90.153972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.153972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.153972 (E_RNA)
where:
Base-Base interactions energy: -31.620
where: short stacking energy: -14.243
Base-Backbone interact. energy: -0.397
local terms energy: -58.136990
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -16.534
flat angles C4'-P-C4' energy: -14.743
flat angles P-C4'-P energy: -12.464
tors. eta vs tors. theta energy: -0.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -87.976104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.976104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.976104 (E_RNA)
where:
Base-Base interactions energy: -42.673
where: short stacking energy: -24.621
Base-Backbone interact. energy: 1.727
local terms energy: -47.030001
where:
bonds (distance) C4'-P energy: -11.842
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -11.692
flat angles P-C4'-P energy: -5.565
tors. eta vs tors. theta energy: -2.239
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: 2
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -88.459327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.459327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.459327 (E_RNA)
where:
Base-Base interactions energy: -32.143
where: short stacking energy: -32.143
Base-Backbone interact. energy: -0.079
local terms energy: -56.236958
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -12.122
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -4.318
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: 6
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -80.274406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.274406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.274406 (E_RNA)
where:
Base-Base interactions energy: -31.222
where: short stacking energy: -26.180
Base-Backbone interact. energy: -0.091
local terms energy: -48.961691
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -10.911
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -0.814
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)
replica 5 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 15634640
moves confirmed later: 18073097
all moves confirmed: 33707737
percent of confirmed moves: 4.213467
current total energy: -187.411131
recalc. total energy: -187.411131
replica 7 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 13814362
moves confirmed later: 15802848
all moves confirmed: 29617210
percent of confirmed moves: 3.702151
current total energy: -161.747477
recalc. total energy: -161.747477
replica 4 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 17613381
moves confirmed later: 20706288
all moves confirmed: 38319669
percent of confirmed moves: 4.789959
current total energy: -160.423970
recalc. total energy: -160.423970
replica 1 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 12218622
moves confirmed later: 13542158
all moves confirmed: 25760780
percent of confirmed moves: 3.220098
current total energy: -196.501637
recalc. total energy: -196.501637
replica 10 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 23205502
moves confirmed later: 28133147
all moves confirmed: 51338649
percent of confirmed moves: 6.417331
current total energy: -146.428163
recalc. total energy: -146.428163
replica 9 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 19588414
moves confirmed later: 23444720
all moves confirmed: 43033134
percent of confirmed moves: 5.379142
current total energy: -149.961885
recalc. total energy: -149.961885
replica 3 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 22712897
moves confirmed later: 27542356
all moves confirmed: 50255253
percent of confirmed moves: 6.281907
current total energy: -62.533669
recalc. total energy: -62.533669
replica 8 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 14744014
moves confirmed later: 16924492
all moves confirmed: 31668506
percent of confirmed moves: 3.958563
current total energy: -69.531834
recalc. total energy: -69.531834
replica 2 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 14486661
moves confirmed later: 16706588
all moves confirmed: 31193249
percent of confirmed moves: 3.899156
current total energy: -61.086836
recalc. total energy: -61.086836
replica 6 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 24675381
moves confirmed later: 30111636
all moves confirmed: 54787017
percent of confirmed moves: 6.848377
current total energy: -35.325090
recalc. total energy: -35.325090
out arg RESULTS//1/USUV-f9168305_01
Time of doing 8000000 iterations: 3088.949 seconds